(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine

C10H8ClF6N — CID 171215302

IUPAC(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF6N/c11-7-2-5(8(18)4-9(12,13)14)1-6(3-7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1
InChIKeyWJFRYNBMZNATLT-MRVPVSSYSA-N
MW291.62 g/mol
LogP4.31
Rot. Bonds2

About (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine

(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 171215302) has the molecular formula C10H8ClF6N and a molecular weight of 291.62 g/mol. Its IUPAC name is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
PubChem CID171215302
Molecular FormulaC10H8ClF6N
Molecular Weight291.62 g/mol
Exact Mass291.02
IUPAC Name(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF6N/c11-7-2-5(8(18)4-9(12,13)14)1-6(3-7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1
InChIKeyWJFRYNBMZNATLT-MRVPVSSYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171218097
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514954
(2S)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol
CID 66514953
(2R)-2-amino-2-[3-chloro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171234964
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171234941
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 170896665
(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171226723
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171234961
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine (CID 171215302) is (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine is N[C@H](CC(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is WJFRYNBMZNATLT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8ClF6N/c11-7-2-5(8(18)4-9(12,13)14)1-6(3-7)10(15,16)17/h1-3,8H,4,18H2/t8-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine?
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 291.62 g/mol, XLogP of 4.31, 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-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 171215302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).