2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine

C9H9ClF3N — CID 116838633

IUPAC2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
SMILESCc1cc(Cl)c(C(F)(F)CN)cc1F
InChIInChI=1S/C9H9ClF3N/c1-5-2-7(10)6(3-8(5)11)9(12,13)4-14/h2-3H,4,14H2,1H3
InChIKeyKEZUUKSRCJKKQC-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.84
Rot. Bonds2

About 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine

2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine (PubChem CID 116838633) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
PubChem CID116838633
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
SMILESCc1cc(Cl)c(C(F)(F)CN)cc1F
InChIInChI=1S/C9H9ClF3N/c1-5-2-7(10)6(3-8(5)11)9(12,13)4-14/h2-3H,4,14H2,1H3
InChIKeyKEZUUKSRCJKKQC-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839484
2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
CID 116963016
4-(2-chloro-4-fluoro-5-methylphenyl)-4,4-difluorobutanoic acid
CID 81045453
2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853588
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131719
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
5-(2-chloro-4-fluoro-5-methylphenyl)-5,5-difluoropentanoic acid
CID 81045687
2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
CID 116844099
N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-(4-bromo-2-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 134690956
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine?
The IUPAC name of 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine (CID 116838633) is 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine is Cc1cc(Cl)c(C(F)(F)CN)cc1F.
What is the InChIKey of 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine?
The InChIKey is KEZUUKSRCJKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5-2-7(10)6(3-8(5)11)9(12,13)4-14/h2-3H,4,14H2,1H3.
What are the key properties of 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine?
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine has a molecular weight of 223.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 116838633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).