1,1,1-trifluoro-6-iodo-2,2-bis(trifluoromethyl)hexane

1,1,1-trifluoro-6-iodo-2,2-bis(trifluoromethyl)hexane

CAS: 883516-29-8

Formula: C8H8F9I

SMILES: FC(F)(F)C(CCCCI)(C(F)(F)F)C(F)(F)F

IUPAC: 1,1,1-trifluoro-6-iodo-2,2-bis(trifluoromethyl)hexane

InChI: InChI=1S/C8H8F9I/c9-6(10,11)5(7(12,13)14,8(15,16)17)3-1-2-4-18/h1-4H2

Composition: C (23.90%), H (2.01%), F (42.53%), I (31.56%)

Molar Mass: 402.042

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	401.9527
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	ODAVUHMRDFNBCS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	54.44
Topological Polar Surface Area	0
Polarizability	20.41
Ring Count	0
Rotatable Bond Count	7

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