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

C11H14F2O — CID 105410784

IUPAC2-[(3,5-difluorophenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O/c1-2-8(7-14)3-9-4-10(12)6-11(13)5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyLGOZYTICQYUBPS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.53
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methyl]butan-1-ol (PubChem CID 105410784) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]butan-1-ol
PubChem CID105410784
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[(3,5-difluorophenyl)methyl]butan-1-ol
SMILESCCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2O/c1-2-8(7-14)3-9-4-10(12)6-11(13)5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyLGOZYTICQYUBPS-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]butan-1-ol (CID 105410784) is 2-[(3,5-difluorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]butan-1-ol is CCC(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]butan-1-ol?
The InChIKey is LGOZYTICQYUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-2-8(7-14)3-9-4-10(12)6-11(13)5-9/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]butan-1-ol?
2-[(3,5-difluorophenyl)methyl]butan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.53, 4 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]butan-1-ol is sourced from PubChem (CID 105410784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).