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

C7H13FO2 — CID 174160272

IUPAC1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(F)CC1
InChIInChI=1S/C7H13FO2/c8-7(10)3-1-6(5-9)2-4-7/h6,9-10H,1-5H2
InChIKeyLPTBSYOXJHADQA-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.83
Rot. Bonds1

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

1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 174160272) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
PubChem CID174160272
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOCC1CCC(O)(F)CC1
InChIInChI=1S/C7H13FO2/c8-7(10)3-1-6(5-9)2-4-7/h6,9-10H,1-5H2
InChIKeyLPTBSYOXJHADQA-UHFFFAOYSA-N
XLogP0.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol (CID 174160272) is 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol is OCC1CCC(O)(F)CC1.
What is the InChIKey of 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is LPTBSYOXJHADQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-7(10)3-1-6(5-9)2-4-7/h6,9-10H,1-5H2.
What are the key properties of 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 148.18 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 174160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).