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

C14H18F2O — CID 64515583

IUPAC3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13,17H,1-4,7-8H2
InChIKeyNBYCOSWMMOPWQC-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.45
Rot. Bonds2

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

3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol (PubChem CID 64515583) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
PubChem CID64515583
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1CCCCC(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13,17H,1-4,7-8H2
InChIKeyNBYCOSWMMOPWQC-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
CID 103050503
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
2-[(2-bromocyclohexyl)methyl]-1,4-difluorobenzene
CID 63472389
3-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132403
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050406
1-chloro-2-[(2,5-difluorophenyl)methyl]cycloheptane
CID 55219699

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol (CID 64515583) is 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol is OC1CCCCC(Cc2cc(F)ccc2F)C1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is NBYCOSWMMOPWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c15-12-5-6-14(16)11(9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13,17H,1-4,7-8H2.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol?
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.45, 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]cycloheptan-1-ol is sourced from PubChem (CID 64515583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).