3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol

C13H16ClF2NO — CID 104860395

IUPAC3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H16ClF2NO/c14-11-5-3-10(4-6-11)12(9-1-2-9)17-7-13(15,16)8-18/h3-6,9,12,17-18H,1-2,7-8H2
InChIKeyCVNPUVKGNYYTAL-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.01
Rot. Bonds6

About 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol

3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol (PubChem CID 104860395) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
PubChem CID104860395
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H16ClF2NO/c14-11-5-3-10(4-6-11)12(9-1-2-9)17-7-13(15,16)8-18/h3-6,9,12,17-18H,1-2,7-8H2
InChIKeyCVNPUVKGNYYTAL-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860682
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860420
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]cyclohexan-1-ol
CID 64927634
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol (CID 104860395) is 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is CVNPUVKGNYYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c14-11-5-3-10(4-6-11)12(9-1-2-9)17-7-13(15,16)8-18/h3-6,9,12,17-18H,1-2,7-8H2.
What are the key properties of 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol?
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 275.73 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).