3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol

C11H13ClFNO — CID 121438959

IUPAC3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFNO/c1-10(15)5-11(14,6-10)8-3-2-7(12)4-9(8)13/h2-4,15H,5-6,14H2,1H3
InChIKeyGZDAGZDTPFAQGE-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.18
Rot. Bonds1

About 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol

3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol (PubChem CID 121438959) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol
PubChem CID121438959
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(N)(c2ccc(Cl)cc2F)C1
InChIInChI=1S/C11H13ClFNO/c1-10(15)5-11(14,6-10)8-3-2-7(12)4-9(8)13/h2-4,15H,5-6,14H2,1H3
InChIKeyGZDAGZDTPFAQGE-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 62387669
3-Amino-3-(4-chlorophenyl)cyclobutan-1-OL
CID 95498243
1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103028732
2-Amino-2-(4-chloro-3-fluorophenyl)propan-1-ol
CID 129944038
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,1-trifluoro-2-methylbutan-2-ol
CID 19823766
2-(2-Aminopropan-2-yl)-1-[(4-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 19862227
cis-(1R,2S)-2-(2-aminopropan-2-yl)-1-[(4-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 70371666
trans-(1R,2R)-2-(2-aminopropan-2-yl)-1-[(4-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 70371682
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
CID 70467769
4-(4-Chloro-2-fluorophenyl)oxan-4-amine
CID 80199849
1-(4-Chloro-2-fluorophenyl)cyclobutan-1-amine
CID 83412500
(3R)-3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-OL
CID 89987366

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol (CID 121438959) is 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol is CC1(O)CC(N)(c2ccc(Cl)cc2F)C1.
What is the InChIKey of 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol?
The InChIKey is GZDAGZDTPFAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-10(15)5-11(14,6-10)8-3-2-7(12)4-9(8)13/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol?
3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol has a molecular weight of 229.68 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 121438959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).