(2R,3S)-1,2-difluoro-3,4-dimethylpentane

C7H14F2 — CID 174248486

IUPAC(2R,3S)-1,2-difluoro-3,4-dimethylpentane
SMILESCC(C)[C@H](C)[C@@H](F)CF
InChIInChI=1S/C7H14F2/c1-5(2)6(3)7(9)4-8/h5-7H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyIRIVTFCRHCOOAJ-BQBZGAKWSA-N
MW136.18 g/mol
LogP2.59
Rot. Bonds3

About (2R,3S)-1,2-difluoro-3,4-dimethylpentane

(2R,3S)-1,2-difluoro-3,4-dimethylpentane (PubChem CID 174248486) has the molecular formula C7H14F2 and a molecular weight of 136.18 g/mol. Its IUPAC name is (2R,3S)-1,2-difluoro-3,4-dimethylpentane.

Molecular Properties

Compound Name(2R,3S)-1,2-difluoro-3,4-dimethylpentane
PubChem CID174248486
Molecular FormulaC7H14F2
Molecular Weight136.18 g/mol
Exact Mass136.11
IUPAC Name(2R,3S)-1,2-difluoro-3,4-dimethylpentane
SMILESCC(C)[C@H](C)[C@@H](F)CF
InChIInChI=1S/C7H14F2/c1-5(2)6(3)7(9)4-8/h5-7H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyIRIVTFCRHCOOAJ-BQBZGAKWSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
3-fluoro-2,4,5-trimethylhexane
CID 145154755
3-fluoro-2-methylpentane
CID 23234145
3-fluoro-2-methylpentane;methane
CID 158695521
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
1,1-difluoro-4,5-dimethylhexane
CID 137419857
1,1-difluoroethane
CID 6368
1-bromo-1,2,3-trifluoropropane
CID 5463736
2,3,6,7-tetrafluorooctane
CID 90762432
4-fluoro-5-methylhexanoic acid
CID 83855194

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,2-difluoro-3,4-dimethylpentane?
The IUPAC name of (2R,3S)-1,2-difluoro-3,4-dimethylpentane (CID 174248486) is (2R,3S)-1,2-difluoro-3,4-dimethylpentane.
What is the SMILES notation for (2R,3S)-1,2-difluoro-3,4-dimethylpentane?
The canonical SMILES for (2R,3S)-1,2-difluoro-3,4-dimethylpentane is CC(C)[C@H](C)[C@@H](F)CF.
What is the InChIKey of (2R,3S)-1,2-difluoro-3,4-dimethylpentane?
The InChIKey is IRIVTFCRHCOOAJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14F2/c1-5(2)6(3)7(9)4-8/h5-7H,4H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-1,2-difluoro-3,4-dimethylpentane?
(2R,3S)-1,2-difluoro-3,4-dimethylpentane has a molecular weight of 136.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,2-difluoro-3,4-dimethylpentane is sourced from PubChem (CID 174248486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).