2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol

C13H17FO — CID 64919767

IUPAC2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FO/c1-2-13(15,11-5-6-11)9-10-3-7-12(14)8-4-10/h3-4,7-8,11,15H,2,5-6,9H2,1H3
InChIKeyWINDJKMWLIKJFB-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol

2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol (PubChem CID 64919767) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
PubChem CID64919767
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FO/c1-2-13(15,11-5-6-11)9-10-3-7-12(14)8-4-10/h3-4,7-8,11,15H,2,5-6,9H2,1H3
InChIKeyWINDJKMWLIKJFB-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
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2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
CID 114276080
2-(3,4-dimethylcyclohexyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833051
2-(oxolan-3-yl)-1-phenylbutan-2-ol
CID 79007844
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol?
The IUPAC name of 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol (CID 64919767) is 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol is CCC(O)(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol?
The InChIKey is WINDJKMWLIKJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-2-13(15,11-5-6-11)9-10-3-7-12(14)8-4-10/h3-4,7-8,11,15H,2,5-6,9H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol?
2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol has a molecular weight of 208.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 64919767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).