(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine

C10H8ClF6NO — CID 171227788

IUPAC(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H8ClF6NO/c11-6-3-5(7(18)4-9(12,13)14)1-2-8(6)19-10(15,16)17/h1-3,7H,4,18H2/t7-/m0/s1
InChIKeyWIYTURANHTUWFK-ZETCQYMHSA-N
MW307.62 g/mol
LogP4.19
Rot. Bonds3

About (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine

(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 171227788) has the molecular formula C10H8ClF6NO and a molecular weight of 307.62 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
PubChem CID171227788
Molecular FormulaC10H8ClF6NO
Molecular Weight307.62 g/mol
Exact Mass307.02
IUPAC Name(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H8ClF6NO/c11-6-3-5(7(18)4-9(12,13)14)1-2-8(6)19-10(15,16)17/h1-3,7H,4,18H2/t7-/m0/s1
InChIKeyWIYTURANHTUWFK-ZETCQYMHSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
CID 171208200
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]pentane-1,5-diamine;hydrochloride
CID 171208195
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-1-amine
CID 171227782
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311761
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312474
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171234883
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171263526
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171263517
(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171209449
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine (CID 171227788) is (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine is N[C@@H](CC(F)(F)F)c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is WIYTURANHTUWFK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8ClF6NO/c11-6-3-5(7(18)4-9(12,13)14)1-2-8(6)19-10(15,16)17/h1-3,7H,4,18H2/t7-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine?
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 307.62 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 171227788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).