1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine

C9H9ClF3N — CID 103759854

IUPAC1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C9H9ClF3N/c1-14-8(9(12)13)6-3-2-5(10)4-7(6)11/h2-4,8-9,14H,1H3
InChIKeyXTNOZAAPAXKDHV-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine

1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 103759854) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
PubChem CID103759854
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C9H9ClF3N/c1-14-8(9(12)13)6-3-2-5(10)4-7(6)11/h2-4,8-9,14H,1H3
InChIKeyXTNOZAAPAXKDHV-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 103759856
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
CID 130690285
1-(5-chloro-2-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 116948116
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine (CID 103759854) is 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine is CNC(c1ccc(Cl)cc1F)C(F)F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is XTNOZAAPAXKDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-14-8(9(12)13)6-3-2-5(10)4-7(6)11/h2-4,8-9,14H,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine?
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 223.63 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103759854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).