(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane

C6H8F6 — CID 170263516

IUPAC(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
SMILESCC[C@H](CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-2-4(6(10,11)12)3-5(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyBJHCHGKVUFFIRM-SCSAIBSYSA-N
MW194.12 g/mol
LogP3.53
Rot. Bonds2

About (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane

(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane (PubChem CID 170263516) has the molecular formula C6H8F6 and a molecular weight of 194.12 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
PubChem CID170263516
Molecular FormulaC6H8F6
Molecular Weight194.12 g/mol
Exact Mass194.05
IUPAC Name(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
SMILESCC[C@H](CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-2-4(6(10,11)12)3-5(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyBJHCHGKVUFFIRM-SCSAIBSYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,5,5,5-hexafluoro-2-methylpentane;methane;1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 159118137
1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
CID 15044638
4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
CID 82534528
2-(trifluoromethyl)butan-1-amine
CID 10351789
3,5-diethyl-4,4-difluoroheptane
CID 137390783
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
CID 143403547
1,1,1-trifluoro-3-methylpentane
CID 21020397
ethane;1,1,1-trifluoropentan-3-ol
CID 170602798
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
N-ethyl-1,1,1-trifluoropentan-3-amine
CID 55149830
1,2,2-trifluoro-3-(fluoromethyl)pentane
CID 162612958
3-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 137421832

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane?
The IUPAC name of (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane (CID 170263516) is (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane.
What is the SMILES notation for (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane?
The canonical SMILES for (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane is CC[C@H](CC(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane?
The InChIKey is BJHCHGKVUFFIRM-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F6/c1-2-4(6(10,11)12)3-5(7,8)9/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane?
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane has a molecular weight of 194.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane is sourced from PubChem (CID 170263516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).