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

C12H16F2O — CID 105410780

IUPAC2-[(3,5-difluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3
InChIKeyPSNTYRWJIGWBDI-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.92
Rot. Bonds5

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

2-[(3,5-difluorophenyl)methyl]pentan-1-ol (PubChem CID 105410780) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]pentan-1-ol
PubChem CID105410780
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3
InChIKeyPSNTYRWJIGWBDI-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
2-[(3,5-dichlorophenyl)methyl]pentan-1-ol
CID 78018332
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]pentan-1-ol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]pentan-1-ol (CID 105410780) is 2-[(3,5-difluorophenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]pentan-1-ol is CCCC(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]pentan-1-ol?
The InChIKey is PSNTYRWJIGWBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-3-9(8-15)4-10-5-11(13)7-12(14)6-10/h5-7,9,15H,2-4,8H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]pentan-1-ol?
2-[(3,5-difluorophenyl)methyl]pentan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]pentan-1-ol is sourced from PubChem (CID 105410780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).