2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol

C13H18F2O — CID 105410776

IUPAC2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2O/c1-9(2)3-11(8-16)4-10-5-12(14)7-13(15)6-10/h5-7,9,11,16H,3-4,8H2,1-2H3
InChIKeySAHPRWNEDCAIFP-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.16
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol

2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol (PubChem CID 105410776) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
PubChem CID105410776
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2O/c1-9(2)3-11(8-16)4-10-5-12(14)7-13(15)6-10/h5-7,9,11,16H,3-4,8H2,1-2H3
InChIKeySAHPRWNEDCAIFP-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
2-[(3,5-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 105408024
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
CID 114349814
2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol (CID 105410776) is 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol is CC(C)CC(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol?
The InChIKey is SAHPRWNEDCAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-9(2)3-11(8-16)4-10-5-12(14)7-13(15)6-10/h5-7,9,11,16H,3-4,8H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol?
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.16, 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]-4-methylpentan-1-ol is sourced from PubChem (CID 105410776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).