1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol

C8H15FO2 — CID 168857252

IUPAC1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(CF)CC1
InChIInChI=1S/C8H15FO2/c9-6-8(11)3-1-7(5-10)2-4-8/h7,10-11H,1-6H2
InChIKeySYLNHGGBEVLIHM-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.87
Rot. Bonds2

About 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol

1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 168857252) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol
PubChem CID168857252
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(CF)CC1
InChIInChI=1S/C8H15FO2/c9-6-8(11)3-1-7(5-10)2-4-8/h7,10-11H,1-6H2
InChIKeySYLNHGGBEVLIHM-UHFFFAOYSA-N
XLogP0.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-4-(2-hydroxy-1,1,3,3,3-pentafluoropropyl)cyclohexanemethanol
CID 23108397
2,3-Difluoro-4-(hydroxymethyl)cyclohexan-1-ol
CID 68010118
(trans-4-(Fluoromethyl)cyclohexyl)methanol
CID 84716342
[4-Methoxy-4-(trifluoromethyl)cyclohexyl]methanol
CID 84723375
4-(Hydroxymethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 84733583
4-(Hydroxymethyl)-4-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 121279372
Ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
CID 144742206
(1R,2R,4S)-2-Fluoro-4-(hydroxymethyl)cyclohexan-1-ol
CID 165385862
1-Fluoro-4-(hydroxymethyl)cyclohexan-1-ol
CID 174160272
1-(Hydroxymethyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82713705
(4-Methoxy-4-methylcyclohexyl)methanol
CID 10678521
4-(Hydroxymethyl)-1-methylcyclohexanol
CID 23263401

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol (CID 168857252) is 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol is OCC1CCC(O)(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is SYLNHGGBEVLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c9-6-8(11)3-1-7(5-10)2-4-8/h7,10-11H,1-6H2.
What are the key properties of 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol?
1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 162.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 168857252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).