1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol

C14H18ClFO — CID 102857046

IUPAC1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1F)CC1CCC1
InChIInChI=1S/C14H18ClFO/c1-14(17,8-10-4-2-5-10)9-11-6-3-7-12(15)13(11)16/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyVKPWONZNYQWZTG-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol

1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol (PubChem CID 102857046) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
PubChem CID102857046
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
SMILESCC(O)(Cc1cccc(Cl)c1F)CC1CCC1
InChIInChI=1S/C14H18ClFO/c1-14(17,8-10-4-2-5-10)9-11-6-3-7-12(15)13(11)16/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyVKPWONZNYQWZTG-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
1-chloro-3-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-fluorobenzene
CID 102863972
4-[(3-chloro-2-fluorophenyl)methyl]heptan-4-ol
CID 102857067
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol (CID 102857046) is 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol is CC(O)(Cc1cccc(Cl)c1F)CC1CCC1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
The InChIKey is VKPWONZNYQWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-14(17,8-10-4-2-5-10)9-11-6-3-7-12(15)13(11)16/h3,6-7,10,17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol is sourced from PubChem (CID 102857046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).