[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol

C10H17FO — CID 178160148

IUPAC[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol
SMILESC/C=C/C1(F)CCCC(CO)C1
InChIInChI=1S/C10H17FO/c1-2-5-10(11)6-3-4-9(7-10)8-12/h2,5,9,12H,3-4,6-8H2,1H3/b5-2+
InChIKeyQGSHEQFSSBDRJD-GORDUTHDSA-N
MW172.24 g/mol
LogP2.45
Rot. Bonds2

About [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol

[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol (PubChem CID 178160148) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol
PubChem CID178160148
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol
SMILESC/C=C/C1(F)CCCC(CO)C1
InChIInChI=1S/C10H17FO/c1-2-5-10(11)6-3-4-9(7-10)8-12/h2,5,9,12H,3-4,6-8H2,1H3/b5-2+
InChIKeyQGSHEQFSSBDRJD-GORDUTHDSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol?
The IUPAC name of [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol (CID 178160148) is [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol.
What is the SMILES notation for [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol?
The canonical SMILES for [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol is C/C=C/C1(F)CCCC(CO)C1.
What is the InChIKey of [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol?
The InChIKey is QGSHEQFSSBDRJD-GORDUTHDSA-N. The full InChI is InChI=1S/C10H17FO/c1-2-5-10(11)6-3-4-9(7-10)8-12/h2,5,9,12H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol?
[3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol has a molecular weight of 172.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-[(E)-prop-1-enyl]cyclohexyl]methanol is sourced from PubChem (CID 178160148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).