(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine

C10H10ClF4N — CID 171215251

IUPAC(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF4N/c11-8-5-6(9(16)3-4-12)1-2-7(8)10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1
InChIKeyLYZUJXNEMFZYDY-SECBINFHSA-N
MW255.64 g/mol
LogP3.72
Rot. Bonds3

About (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine

(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine (PubChem CID 171215251) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
PubChem CID171215251
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
SMILESN[C@H](CCF)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF4N/c11-8-5-6(9(16)3-4-12)1-2-7(8)10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1
InChIKeyLYZUJXNEMFZYDY-SECBINFHSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171234863
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
methyl (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171251442
methyl (3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171251443
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The IUPAC name of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine (CID 171215251) is (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The canonical SMILES for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine is N[C@H](CCF)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The InChIKey is LYZUJXNEMFZYDY-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClF4N/c11-8-5-6(9(16)3-4-12)1-2-7(8)10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine has a molecular weight of 255.64 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 171215251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).