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

C10H19F — CID 10997321

IUPAC(1S,2R,4R)-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-/m1/s1
InChIKeyQFWBGMBGALACAU-KXUCPTDWSA-N
MW158.26 g/mol
LogP3.42
Rot. Bonds1

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

(1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 10997321) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
PubChem CID10997321
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(1S,2R,4R)-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-/m1/s1
InChIKeyQFWBGMBGALACAU-KXUCPTDWSA-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

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
Pentylcyclohexane
CID 20284
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
Octylcyclohexane
CID 15712
Heptylcyclohexane
CID 21832
Diethylcyclohexane
CID 14910
Isobutylcyclohexane
CID 15508
1-Ethyl-4-methylcyclohexane
CID 19503
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,2,4,5-Tetramethylcyclohexane
CID 92914

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane (CID 10997321) is (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-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 (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is QFWBGMBGALACAU-KXUCPTDWSA-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-/m1/s1.
What are the key properties of (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-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 (1S,2R,4R)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 10997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).