3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol

C14H16F2O — CID 107383366

IUPAC3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
SMILESOC1C=C(Cc2cc(F)ccc2F)CCCC1
InChIInChI=1S/C14H16F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,8-9,13,17H,1-4,7H2
InChIKeyOFLIDAIRCHOJHK-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.37
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol

3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol (PubChem CID 107383366) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
PubChem CID107383366
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
SMILESOC1C=C(Cc2cc(F)ccc2F)CCCC1
InChIInChI=1S/C14H16F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,8-9,13,17H,1-4,7H2
InChIKeyOFLIDAIRCHOJHK-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 114013021
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383511
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol
CID 107383454
3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine
CID 65174290
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol
CID 65174539
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-[(2,5-difluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65176808

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol (CID 107383366) is 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol is OC1C=C(Cc2cc(F)ccc2F)CCCC1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol?
The InChIKey is OFLIDAIRCHOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,8-9,13,17H,1-4,7H2.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol?
3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol has a molecular weight of 238.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).