3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine

C10H10Cl2F3N — CID 56602011

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)C(CCl)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2F3N/c11-5-9(10(13,14)15)16-6-7-1-3-8(12)4-2-7/h1-4,9,16H,5-6H2
InChIKeyGFBBFULSLRPFAZ-UHFFFAOYSA-N
MW272.10 g/mol
LogP3.60
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine

3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine (PubChem CID 56602011) has the molecular formula C10H10Cl2F3N and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine
PubChem CID56602011
Molecular FormulaC10H10Cl2F3N
Molecular Weight272.10 g/mol
Exact Mass271.01
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine
SMILESFC(F)(F)C(CCl)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H10Cl2F3N/c11-5-9(10(13,14)15)16-6-7-1-3-8(12)4-2-7/h1-4,9,16H,5-6H2
InChIKeyGFBBFULSLRPFAZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-chloro-1,1,1-trifluorobutan-2-amine
CID 121221476
N"-[(4-chlorophenyl)methyl]methanetriamine
CID 143471410
N-[(4-chlorophenyl)methyl]-1,1,1-trifluoromethanamine
CID 71648881
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
CID 14965865
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine (CID 56602011) is 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine is FC(F)(F)C(CCl)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is GFBBFULSLRPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3N/c11-5-9(10(13,14)15)16-6-7-1-3-8(12)4-2-7/h1-4,9,16H,5-6H2.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine?
3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 272.10 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 56602011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).