3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol

C13H15ClF3NO — CID 104528160

IUPAC3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CC(c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c14-10-3-1-8(2-4-10)9-5-11(6-9)18-7-12(19)13(15,16)17/h1-4,9,11-12,18-19H,5-7H2
InChIKeyRXUNTLSEXMMBSK-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.10
Rot. Bonds4

About 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol

3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 104528160) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID104528160
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CC(c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c14-10-3-1-8(2-4-10)9-5-11(6-9)18-7-12(19)13(15,16)17/h1-4,9,11-12,18-19H,5-7H2
InChIKeyRXUNTLSEXMMBSK-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-(((4-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3812359
Etolorex
CID 208943
2-Propanol, 1-(p-chlorophenyl-tert-butyl)amino-
CID 89514
1-((4-Chlorophenethyl)amino)propan-2-ol
CID 11564750
3-{[2-(4-Chlorophenyl)ethyl]amino}-1,1,1-trifluoropropan-2-ol
CID 63900450
(2S,3S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-methylpentan-1-ol
CID 45933045
(2R)-1-{[1-(4-chlorophenyl)propan-2-yl]amino}propan-2-ol hydrochloride
CID 91663000
2-[[(1S)-1-(4-chlorophenyl)-3,3,3-trifluoropropyl]amino]ethanol
CID 97334023
2-((2-(4-Chloro-3-(trifluoromethyl)phenyl)-1-methylethyl)amino)ethanol
CID 119734
3-(3-(4-Chlorophenyl)piperidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 90103352
2-[2-(4-Chlorophenyl)ethylamino]-3,3,3-trifluoropropan-1-ol
CID 141365803
1-[[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclobutyl]amino]ethanol
CID 155237473

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol (CID 104528160) is 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol is OC(CNC1CC(c2ccc(Cl)cc2)C1)C(F)(F)F.
What is the InChIKey of 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RXUNTLSEXMMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-10-3-1-8(2-4-10)9-5-11(6-9)18-7-12(19)13(15,16)17/h1-4,9,11-12,18-19H,5-7H2.
What are the key properties of 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 293.72 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104528160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).