4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane

C12H17F9 — CID 58901248

IUPAC4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
SMILESCCCCC(CC(C)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F9/c1-3-4-5-8(6-9(2,13)14)7-10(15,11(16,17)18)12(19,20)21/h8H,3-7H2,1-2H3
InChIKeyBAHBUUZDSLQBSA-UHFFFAOYSA-N
MW332.25 g/mol
LogP6.06
Rot. Bonds7

About 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane

4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane (PubChem CID 58901248) has the molecular formula C12H17F9 and a molecular weight of 332.25 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
PubChem CID58901248
Molecular FormulaC12H17F9
Molecular Weight332.25 g/mol
Exact Mass332.12
IUPAC Name4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane
SMILESCCCCC(CC(C)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F9/c1-3-4-5-8(6-9(2,13)14)7-10(15,11(16,17)18)12(19,20)21/h8H,3-7H2,1-2H3
InChIKeyBAHBUUZDSLQBSA-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.25
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7,8,8,8-pentafluoro-5-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-7-(trifluoromethyl)octane-1-thiol
CID 87159417
5-butyl-1,1,1,3,3,7,7,9,9,9-decafluorononane
CID 158240546
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679
6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-sulfinate
CID 162540797
ethene;1,1,1,2,6,7,7,7-octafluoro-4-(2-iodoethyl)-2,6-bis(trifluoromethyl)heptane;1,1,1,2-tetrafluoro-8-iodo-2-(trifluoromethyl)-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]octane;hydrofluoride
CID 157419025
5-butyl-3,3-dimethylnonane
CID 123518865
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
1-[6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptyl]sulfanylpropan-2-ol;hydrochloride
CID 171932751
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
CID 58901154
1,1,1,2,2-pentafluoro-5-(trifluoromethyl)non-3-ene
CID 141171044
1,1,1,2,6-pentafluoro-2,6-dimethyl-4-propylheptane
CID 87159283
2,2-difluoroheptan-3-amine
CID 130605107

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane?
The IUPAC name of 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane (CID 58901248) is 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane.
What is the SMILES notation for 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane?
The canonical SMILES for 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane is CCCCC(CC(C)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane?
The InChIKey is BAHBUUZDSLQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9/c1-3-4-5-8(6-9(2,13)14)7-10(15,11(16,17)18)12(19,20)21/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane?
4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane has a molecular weight of 332.25 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-1,1,1,2-tetrafluoro-2-(trifluoromethyl)octane is sourced from PubChem (CID 58901248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).