(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride

C9H11Cl2F2N — CID 171200162

IUPAC(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClF2N.ClH/c10-6-2-1-3-7(12)9(6)8(13)4-5-11;/h1-3,8H,4-5,13H2;1H/t8-;/m1./s1
InChIKeyCTGFLSXJWLWINE-DDWIOCJRSA-N
MW242.10 g/mol
LogP3.26
Rot. Bonds3

About (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride

(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride (PubChem CID 171200162) has the molecular formula C9H11Cl2F2N and a molecular weight of 242.10 g/mol. Its IUPAC name is (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
PubChem CID171200162
Molecular FormulaC9H11Cl2F2N
Molecular Weight242.10 g/mol
Exact Mass241.02
IUPAC Name(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CCF)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClF2N.ClH/c10-6-2-1-3-7(12)9(6)8(13)4-5-11;/h1-3,8H,4-5,13H2;1H/t8-;/m1./s1
InChIKeyCTGFLSXJWLWINE-DDWIOCJRSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171227171
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1S)-1-(2-chloro-6-fluorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219703
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride (CID 171200162) is (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride is Cl.N[C@H](CCF)c1c(F)cccc1Cl.
What is the InChIKey of (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
The InChIKey is CTGFLSXJWLWINE-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10ClF2N.ClH/c10-6-2-1-3-7(12)9(6)8(13)4-5-11;/h1-3,8H,4-5,13H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride?
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride has a molecular weight of 242.10 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).