3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol

C13H16F2O — CID 114982150

IUPAC3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
SMILESCC(C(O)Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H16F2O/c1-8(9-2-3-9)13(16)7-10-6-11(14)4-5-12(10)15/h4-6,8-9,13,16H,2-3,7H2,1H3
InChIKeyRLUSYPYKKLGHLR-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.91
Rot. Bonds4

About 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol

3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol (PubChem CID 114982150) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
PubChem CID114982150
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
SMILESCC(C(O)Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C13H16F2O/c1-8(9-2-3-9)13(16)7-10-6-11(14)4-5-12(10)15/h4-6,8-9,13,16H,2-3,7H2,1H3
InChIKeyRLUSYPYKKLGHLR-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]propan-1-amine
CID 115592592
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 114982036
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol?
The IUPAC name of 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol (CID 114982150) is 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol?
The canonical SMILES for 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol is CC(C(O)Cc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol?
The InChIKey is RLUSYPYKKLGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8(9-2-3-9)13(16)7-10-6-11(14)4-5-12(10)15/h4-6,8-9,13,16H,2-3,7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol?
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol has a molecular weight of 226.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol is sourced from PubChem (CID 114982150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).