(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine

C15H19ClF3N — CID 23246918

IUPAC(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
SMILESCC(C)N(/C(=C\c1ccc(Cl)cc1)C(F)(F)F)C(C)C
InChIInChI=1S/C15H19ClF3N/c1-10(2)20(11(3)4)14(15(17,18)19)9-12-5-7-13(16)8-6-12/h5-11H,1-4H3/b14-9-
InChIKeyGQURUBZWKRHXDK-ZROIWOOFSA-N
MW305.77 g/mol
LogP5.36
Rot. Bonds4

About (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine

(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine (PubChem CID 23246918) has the molecular formula C15H19ClF3N and a molecular weight of 305.77 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
PubChem CID23246918
Molecular FormulaC15H19ClF3N
Molecular Weight305.77 g/mol
Exact Mass305.12
IUPAC Name(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine
SMILESCC(C)N(/C(=C\c1ccc(Cl)cc1)C(F)(F)F)C(C)C
InChIInChI=1S/C15H19ClF3N/c1-10(2)20(11(3)4)14(15(17,18)19)9-12-5-7-13(16)8-6-12/h5-11H,1-4H3/b14-9-
InChIKeyGQURUBZWKRHXDK-ZROIWOOFSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 3049690
3-(4-chlorophenyl)-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 3049696
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-N-ethylbutan-1-amine
CID 72793513
4-Chloro-N,N-diethylbenzenebutanamine
CID 13971526
2-Propyn-1-amine, N,N-bis(1-methylethyl)-3-(4-chlorophenyl)-, hydrochloride
CID 3049695
4-(4-Chlorophenyl)butyl-diethyl-(7-fluoroheptyl)azanium
CID 11421171
1-[1-(4-Chlorophenyl)ethenyl]-3,3-difluoroazetidine
CID 89366585
N-[(4-chlorophenyl)methyl]-4-fluoro-N-propan-2-ylbutan-1-amine
CID 121474483
N-[(4-chlorophenyl)methyl]-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 121474488
N-butan-2-yl-N-[(4-chlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 130409626
(3E,5E)-N-butyl-6-[4-chloro-3-(2-fluoropropan-2-yl)phenyl]-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 137399777
5-(4-Chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole
CID 140967238

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine (CID 23246918) is (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine is CC(C)N(/C(=C\c1ccc(Cl)cc1)C(F)(F)F)C(C)C.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
The InChIKey is GQURUBZWKRHXDK-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H19ClF3N/c1-10(2)20(11(3)4)14(15(17,18)19)9-12-5-7-13(16)8-6-12/h5-11H,1-4H3/b14-9-.
What are the key properties of (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine?
(Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine has a molecular weight of 305.77 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 23246918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).