3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine

C10H12ClF2N — CID 105475062

IUPAC3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClF2N/c1-14-6-5-10(12,13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
InChIKeyYJAWBZKULRSUTI-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.04
Rot. Bonds4

About 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine

3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine (PubChem CID 105475062) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
PubChem CID105475062
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClF2N/c1-14-6-5-10(12,13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
InChIKeyYJAWBZKULRSUTI-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
CID 105459745
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
3-(4-ethylsulfanylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838713
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
3,3-difluoro-N-methyl-3-(4-methylsulfanylphenyl)propan-1-amine
CID 116838711
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
3-(3-chlorophenyl)-3-ethylpentan-1-amine
CID 83823434
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
1-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472332
N-[2-(3-chlorophenyl)-2,2-difluoroethyl]prop-2-enamide
CID 166772612

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine (CID 105475062) is 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine is CNCCC(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine?
The InChIKey is YJAWBZKULRSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-14-6-5-10(12,13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine?
3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105475062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).