(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine

C10H10ClF4N — CID 171234941

IUPAC(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF4N/c11-8-4-6(9(16)1-2-12)3-7(5-8)10(13,14)15/h3-5,9H,1-2,16H2/t9-/m0/s1
InChIKeyNHKSSHBNPRDQGV-VIFPVBQESA-N
MW255.64 g/mol
LogP3.72
Rot. Bonds3

About (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine

(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine (PubChem CID 171234941) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
PubChem CID171234941
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
SMILESN[C@@H](CCF)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF4N/c11-8-4-6(9(16)1-2-12)3-7(5-8)10(13,14)15/h3-5,9H,1-2,16H2/t9-/m0/s1
InChIKeyNHKSSHBNPRDQGV-VIFPVBQESA-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-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine;hydrochloride
CID 171215301

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine (CID 171234941) is (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine is N[C@@H](CCF)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
The InChIKey is NHKSSHBNPRDQGV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10ClF4N/c11-8-4-6(9(16)1-2-12)3-7(5-8)10(13,14)15/h3-5,9H,1-2,16H2/t9-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine?
(1S)-1-[3-chloro-5-(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 (1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 171234941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).