(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine

C9H10ClF2N — CID 130713439

IUPAC(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H10ClF2N/c1-2-7(13)8-6(11)4-3-5(10)9(8)12/h3-4,7H,2,13H2,1H3/t7-/m1/s1
InChIKeyQNGZSPXLNHUDKS-SSDOTTSWSA-N
MW205.64 g/mol
LogP3.03
Rot. Bonds2

About (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine

(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine (PubChem CID 130713439) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
PubChem CID130713439
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
SMILESCC[C@@H](N)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H10ClF2N/c1-2-7(13)8-6(11)4-3-5(10)9(8)12/h3-4,7H,2,13H2,1H3/t7-/m1/s1
InChIKeyQNGZSPXLNHUDKS-SSDOTTSWSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171208998
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)propanoate;hydrochloride
CID 171228607
(1S)-1-(3-bromo-2,6-difluorophenyl)propan-1-amine;hydrochloride
CID 171224706
(1R)-1-(3,6-dichloro-2-fluorophenyl)propane-1,3-diamine
CID 131149390
2-[(1S)-1-aminopropyl]-3,6-difluorophenol
CID 131195771
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171215618
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376
(1R,2S)-1-amino-1-(3-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171263824
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine?
The IUPAC name of (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine (CID 130713439) is (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine is CC[C@@H](N)c1c(F)ccc(Cl)c1F.
What is the InChIKey of (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine?
The InChIKey is QNGZSPXLNHUDKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-2-7(13)8-6(11)4-3-5(10)9(8)12/h3-4,7H,2,13H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine?
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine has a molecular weight of 205.64 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine is sourced from PubChem (CID 130713439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).