(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane

C10H19F — CID 135011931

IUPAC(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1F
InChIInChI=1S/C10H19F/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyQFWBGMBGALACAU-IVZWLZJFSA-N
MW158.26 g/mol
LogP3.42
Rot. Bonds1

About (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane

(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 135011931) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
PubChem CID135011931
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1F
InChIInChI=1S/C10H19F/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyQFWBGMBGALACAU-IVZWLZJFSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
CID 66630118
CID 66630118
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
hexakis[(-)-menthyl]distannane
CID 86177037
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane (CID 135011931) is (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane is CC(C)[C@H]1CC[C@H](C)C[C@H]1F.
What is the InChIKey of (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is QFWBGMBGALACAU-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H19F/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 158.26 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 135011931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).