1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine

C13H18ClF2N — CID 116790609

IUPAC1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
SMILESCN(CC(F)(F)c1ccccc1)C(C)(C)CCl
InChIInChI=1S/C13H18ClF2N/c1-12(2,9-14)17(3)10-13(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyKWTKSVNBJCWMKE-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.73
Rot. Bonds5

About 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine

1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine (PubChem CID 116790609) has the molecular formula C13H18ClF2N and a molecular weight of 261.74 g/mol. Its IUPAC name is 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
PubChem CID116790609
Molecular FormulaC13H18ClF2N
Molecular Weight261.74 g/mol
Exact Mass261.11
IUPAC Name1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
SMILESCN(CC(F)(F)c1ccccc1)C(C)(C)CCl
InChIInChI=1S/C13H18ClF2N/c1-12(2,9-14)17(3)10-13(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyKWTKSVNBJCWMKE-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
CID 116789388
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
CID 116789418
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylpropan-2-amine
CID 102859934
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
dichloro-(1-chloro-2-phenylpropan-2-yl)-methylsilane
CID 69246763
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
1,1-difluoroethylbenzene
CID 10942535
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
N-(2,2-difluoro-2-phenylethyl)-N',N'-dimethylethane-1,2-diamine
CID 116788792
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine (CID 116790609) is 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine is CN(CC(F)(F)c1ccccc1)C(C)(C)CCl.
What is the InChIKey of 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine?
The InChIKey is KWTKSVNBJCWMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2N/c1-12(2,9-14)17(3)10-13(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine?
1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine has a molecular weight of 261.74 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 116790609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).