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

C13H16ClF2NO — CID 106172971

IUPAC3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClF2NO/c14-12-4-2-1-3-11(12)9-5-10(6-9)17-7-13(15,16)8-18/h1-4,9-10,17-18H,5-8H2
InChIKeySLWWGDICAIZZOP-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.80
Rot. Bonds5

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

3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106172971) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
PubChem CID106172971
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClF2NO/c14-12-4-2-1-3-11(12)9-5-10(6-9)17-7-13(15,16)8-18/h1-4,9-10,17-18H,5-8H2
InChIKeySLWWGDICAIZZOP-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
CID 79551184
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
CID 106172901
3-(2-chlorophenyl)-N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)cyclobutan-1-amine
CID 154759381
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
CID 106333820
2-[[3-(2-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634747
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65117559
2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
CID 61238598
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339
3-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]oxolan-3-ol
CID 106099993

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol (CID 106172971) is 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is SLWWGDICAIZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c14-12-4-2-1-3-11(12)9-5-10(6-9)17-7-13(15,16)8-18/h1-4,9-10,17-18H,5-8H2.
What are the key properties of 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol?
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 275.73 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).