4-(2-fluorophenyl)butan-2-ol

C10H13FO — CID 12618518

IUPAC4-(2-fluorophenyl)butan-2-ol
SMILESCC(O)CCc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8,12H,6-7H2,1H3
InChIKeyVPGHDOPHBJQZLN-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.14
Rot. Bonds3

About 4-(2-fluorophenyl)butan-2-ol

4-(2-fluorophenyl)butan-2-ol (PubChem CID 12618518) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)butan-2-ol
PubChem CID12618518
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-(2-fluorophenyl)butan-2-ol
SMILESCC(O)CCc1ccccc1F
InChIInChI=1S/C10H13FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8,12H,6-7H2,1H3
InChIKeyVPGHDOPHBJQZLN-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-(2-bromo-3-fluorophenyl)butan-2-ol
CID 164664102
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
1-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
N-(2-bromoprop-2-enyl)-4-(2-fluorophenyl)butan-2-amine
CID 115717239
1-[4-(2-fluorophenyl)butan-2-yl]piperazine
CID 82044268
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
3-amino-7-(2-fluorophenyl)-2,5-dimethylheptanoic acid
CID 151795763
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 4-(2-fluorophenyl)butan-2-ol (CID 12618518) is 4-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-(2-fluorophenyl)butan-2-ol is CC(O)CCc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)butan-2-ol?
The InChIKey is VPGHDOPHBJQZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 4-(2-fluorophenyl)butan-2-ol?
4-(2-fluorophenyl)butan-2-ol has a molecular weight of 168.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 12618518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).