(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol

C14H25FO — CID 123819677

IUPAC(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CCC(F)CC2)CC1
InChIInChI=1S/C14H25FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h10-14,16H,2-9H2,1H3
InChIKeyRBMRBQSOCUOBJS-UHFFFAOYSA-N
MW228.35 g/mol
LogP3.70
Rot. Bonds2

About (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol

(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol (PubChem CID 123819677) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
PubChem CID123819677
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(O)C2CCC(F)CC2)CC1
InChIInChI=1S/C14H25FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h10-14,16H,2-9H2,1H3
InChIKeyRBMRBQSOCUOBJS-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560052
(1R)-1-fluoro-4-methylcycloheptane
CID 155056751
amino-(4-methylcyclohexyl)methanol
CID 89201512
(3,5-dimethylcyclohexyl)-(3-methylcyclopentyl)methanol
CID 65402149
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
[(1R,2R)-2-ethylcyclopropyl]-(4-methylcyclohexyl)methanol
CID 131124005
cyclopropyl(oxan-4-yl)methanol
CID 63936668
1-(4-fluorocyclohexyl)-4-methylcycloheptane
CID 142144551
1,4-dimethylcyclohexane;methanol
CID 70358527
cyclooctyl(cyclopropyl)methanol
CID 80603317
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol?
The IUPAC name of (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol (CID 123819677) is (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol.
What is the SMILES notation for (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol?
The canonical SMILES for (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol is CC1CCC(C(O)C2CCC(F)CC2)CC1.
What is the InChIKey of (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol?
The InChIKey is RBMRBQSOCUOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h10-14,16H,2-9H2,1H3.
What are the key properties of (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol?
(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol has a molecular weight of 228.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 123819677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).