(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

C9H9Cl3F3N — CID 171197929

IUPAC(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2F3N.ClH/c10-5-2-1-3-6(11)8(5)7(15)4-9(12,13)14;/h1-3,7H,4,15H2;1H/t7-;/m1./s1
InChIKeyMAVWEGWUWILQEL-OGFXRTJISA-N
MW294.53 g/mol
LogP4.37
Rot. Bonds2

About (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride

(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (PubChem CID 171197929) has the molecular formula C9H9Cl3F3N and a molecular weight of 294.53 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
PubChem CID171197929
Molecular FormulaC9H9Cl3F3N
Molecular Weight294.53 g/mol
Exact Mass292.98
IUPAC Name(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H8Cl2F3N.ClH/c10-5-2-1-3-6(11)8(5)7(15)4-9(12,13)14;/h1-3,7H,4,15H2;1H/t7-;/m1./s1
InChIKeyMAVWEGWUWILQEL-OGFXRTJISA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,6-dichloro-2-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171235270
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(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
(1R)-1-(4-chloro-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171210934
(1S)-1-(2-bromo-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 171223217
(1R)-1-[2-chloro-6-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207579
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride (CID 171197929) is (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
The InChIKey is MAVWEGWUWILQEL-OGFXRTJISA-N. The full InChI is InChI=1S/C9H8Cl2F3N.ClH/c10-5-2-1-3-6(11)8(5)7(15)4-9(12,13)14;/h1-3,7H,4,15H2;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride?
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride has a molecular weight of 294.53 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171197929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).