3-fluoro-3-(trifluoromethyl)pentane

C6H10F4 — CID 59742437

IUPAC3-fluoro-3-(trifluoromethyl)pentane
SMILESCCC(F)(CC)C(F)(F)F
InChIInChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3
InChIKeyCRLAAXYUDCYEHK-UHFFFAOYSA-N
MW158.14 g/mol
LogP3.08
Rot. Bonds2

About 3-fluoro-3-(trifluoromethyl)pentane

3-fluoro-3-(trifluoromethyl)pentane (PubChem CID 59742437) has the molecular formula C6H10F4 and a molecular weight of 158.14 g/mol. Its IUPAC name is 3-fluoro-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-fluoro-3-(trifluoromethyl)pentane
PubChem CID59742437
Molecular FormulaC6H10F4
Molecular Weight158.14 g/mol
Exact Mass158.07
IUPAC Name3-fluoro-3-(trifluoromethyl)pentane
SMILESCCC(F)(CC)C(F)(F)F
InChIInChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3
InChIKeyCRLAAXYUDCYEHK-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
CID 158342354
2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
CID 90262453
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
2-chloro-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 89150301
ethane;2-fluoro-2-methylbutane
CID 143329956
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
1,1,1,2,3-pentafluoro-2,3-dimethylpentane
CID 88907559
1,1-difluoropropyl(oxo)sulfanium
CID 162541528
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(trifluoromethyl)pentane?
The IUPAC name of 3-fluoro-3-(trifluoromethyl)pentane (CID 59742437) is 3-fluoro-3-(trifluoromethyl)pentane.
What is the SMILES notation for 3-fluoro-3-(trifluoromethyl)pentane?
The canonical SMILES for 3-fluoro-3-(trifluoromethyl)pentane is CCC(F)(CC)C(F)(F)F.
What is the InChIKey of 3-fluoro-3-(trifluoromethyl)pentane?
The InChIKey is CRLAAXYUDCYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4/c1-3-5(7,4-2)6(8,9)10/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-(trifluoromethyl)pentane?
3-fluoro-3-(trifluoromethyl)pentane has a molecular weight of 158.14 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(trifluoromethyl)pentane is sourced from PubChem (CID 59742437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).