(3S)-2,2-difluoro-3-methylpentane

C6H12F2 — CID 129370790

IUPAC(3S)-2,2-difluoro-3-methylpentane
SMILESCC[C@H](C)C(C)(F)F
InChIInChI=1S/C6H12F2/c1-4-5(2)6(3,7)8/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNSBQAUADNQVRNT-YFKPBYRVSA-N
MW122.16 g/mol
LogP2.69
Rot. Bonds2

About (3S)-2,2-difluoro-3-methylpentane

(3S)-2,2-difluoro-3-methylpentane (PubChem CID 129370790) has the molecular formula C6H12F2 and a molecular weight of 122.16 g/mol. Its IUPAC name is (3S)-2,2-difluoro-3-methylpentane.

Molecular Properties

Compound Name(3S)-2,2-difluoro-3-methylpentane
PubChem CID129370790
Molecular FormulaC6H12F2
Molecular Weight122.16 g/mol
Exact Mass122.09
IUPAC Name(3S)-2,2-difluoro-3-methylpentane
SMILESCC[C@H](C)C(C)(F)F
InChIInChI=1S/C6H12F2/c1-4-5(2)6(3,7)8/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyNSBQAUADNQVRNT-YFKPBYRVSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-3,4-dimethylhexane
CID 153400772
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
3,3-difluoro-2-methylbutane-1-thiol
CID 162577364
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
2,3-dimethylpentane-2-thiol
CID 90985123
1-fluoro-3,3,4-trimethylhexane
CID 123778940
2-(2-fluoro-3-methylpentan-2-yl)pyrrolidine
CID 131015142
2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
CID 175610511
2,4-dimethyl-3-(trifluoromethyl)hexan-3-amine
CID 87186007
2,3,4-trimethylhexane-2,3-diol
CID 12714107

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-difluoro-3-methylpentane?
The IUPAC name of (3S)-2,2-difluoro-3-methylpentane (CID 129370790) is (3S)-2,2-difluoro-3-methylpentane.
What is the SMILES notation for (3S)-2,2-difluoro-3-methylpentane?
The canonical SMILES for (3S)-2,2-difluoro-3-methylpentane is CC[C@H](C)C(C)(F)F.
What is the InChIKey of (3S)-2,2-difluoro-3-methylpentane?
The InChIKey is NSBQAUADNQVRNT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12F2/c1-4-5(2)6(3,7)8/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (3S)-2,2-difluoro-3-methylpentane?
(3S)-2,2-difluoro-3-methylpentane has a molecular weight of 122.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-difluoro-3-methylpentane is sourced from PubChem (CID 129370790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).