3-[(4-fluorophenyl)methyl]cycloheptan-1-ol

C14H19FO — CID 64514392

IUPAC3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2
InChIKeyGSWCOZPZZVSTCV-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.31
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol

3-[(4-fluorophenyl)methyl]cycloheptan-1-ol (PubChem CID 64514392) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
PubChem CID64514392
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2
InChIKeyGSWCOZPZZVSTCV-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol (CID 64514392) is 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol is OC1CCCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is GSWCOZPZZVSTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c15-13-7-5-11(6-8-13)9-12-3-1-2-4-14(16)10-12/h5-8,12,14,16H,1-4,9-10H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol?
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64514392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).