(3S)-3-ethyl-2,2-difluoro-4-methylpentane

C8H16F2 — CID 178144568

IUPAC(3S)-3-ethyl-2,2-difluoro-4-methylpentane
SMILESCC[C@@H](C(C)C)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-5-7(6(2)3)8(4,9)10/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyOXPZZZBIUKMESN-ZETCQYMHSA-N
MW150.21 g/mol
LogP3.32
Rot. Bonds3

About (3S)-3-ethyl-2,2-difluoro-4-methylpentane

(3S)-3-ethyl-2,2-difluoro-4-methylpentane (PubChem CID 178144568) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is (3S)-3-ethyl-2,2-difluoro-4-methylpentane.

Molecular Properties

Compound Name(3S)-3-ethyl-2,2-difluoro-4-methylpentane
PubChem CID178144568
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name(3S)-3-ethyl-2,2-difluoro-4-methylpentane
SMILESCC[C@@H](C(C)C)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-5-7(6(2)3)8(4,9)10/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyOXPZZZBIUKMESN-ZETCQYMHSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(dimethoxymethyl)-2,2-difluoropentane
CID 173353796
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
3-fluoro-3,4-dimethylhexane
CID 153400772
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
3-ethyl-2,2,4-trimethylheptane
CID 22354769
(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
CID 163690982

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2,2-difluoro-4-methylpentane?
The IUPAC name of (3S)-3-ethyl-2,2-difluoro-4-methylpentane (CID 178144568) is (3S)-3-ethyl-2,2-difluoro-4-methylpentane.
What is the SMILES notation for (3S)-3-ethyl-2,2-difluoro-4-methylpentane?
The canonical SMILES for (3S)-3-ethyl-2,2-difluoro-4-methylpentane is CC[C@@H](C(C)C)C(C)(F)F.
What is the InChIKey of (3S)-3-ethyl-2,2-difluoro-4-methylpentane?
The InChIKey is OXPZZZBIUKMESN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F2/c1-5-7(6(2)3)8(4,9)10/h6-7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethyl-2,2-difluoro-4-methylpentane?
(3S)-3-ethyl-2,2-difluoro-4-methylpentane has a molecular weight of 150.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2,2-difluoro-4-methylpentane is sourced from PubChem (CID 178144568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).