(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol

C7H13FO2 — CID 165385862

IUPAC(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOC[C@H]1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H13FO2/c8-6-3-5(4-9)1-2-7(6)10/h5-7,9-10H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyUTCAXMBVFOKNSR-RRKCRQDMSA-N
MW148.18 g/mol
LogP0.48
Rot. Bonds1

About (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol

(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 165385862) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
PubChem CID165385862
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol
SMILESOC[C@H]1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H13FO2/c8-6-3-5(4-9)1-2-7(6)10/h5-7,9-10H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyUTCAXMBVFOKNSR-RRKCRQDMSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol (CID 165385862) is (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol is OC[C@H]1CC[C@@H](O)[C@H](F)C1.
What is the InChIKey of (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is UTCAXMBVFOKNSR-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13FO2/c8-6-3-5(4-9)1-2-7(6)10/h5-7,9-10H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol?
(1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 148.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-fluoro-4-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 165385862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).