(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine

C9H10ClF2N — CID 155687240

IUPAC(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(C(F)F)c1Cl
InChIInChI=1S/C9H10ClF2N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1
InChIKeyPUXRCBAWDXJMIH-RXMQYKEDSA-N
MW205.64 g/mol
LogP3.30
Rot. Bonds2

About (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine

(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine (PubChem CID 155687240) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
PubChem CID155687240
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(C(F)F)c1Cl
InChIInChI=1S/C9H10ClF2N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1
InChIKeyPUXRCBAWDXJMIH-RXMQYKEDSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
1-[2-bromo-3-(difluoromethyl)phenyl]ethanamine
CID 175189095
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
2-chloro-1-(difluoromethyl)-3-iodobenzene
CID 118995834
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-[3-[(1R)-1-aminoethyl]-2-chlorophenyl]-1,1-difluoro-2-methylpropan-2-ol
CID 164873090
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
2-chloro-6-(difluoromethyl)aniline
CID 84656251
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine (CID 155687240) is (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine is C[C@@H](N)c1cccc(C(F)F)c1Cl.
What is the InChIKey of (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine?
The InChIKey is PUXRCBAWDXJMIH-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-5(13)6-3-2-4-7(8(6)10)9(11)12/h2-5,9H,13H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine?
(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine has a molecular weight of 205.64 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 155687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).