(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine

C12H13ClF3N — CID 170891137

IUPAC(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine
SMILESCC(N)C/C(=C(/Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H13ClF3N/c1-8(17)7-10(11(13)12(14,15)16)9-5-3-2-4-6-9/h2-6,8H,7,17H2,1H3/b11-10-
InChIKeyWVRGLNNUSAUGNE-KHPPLWFESA-N
MW263.69 g/mol
LogP3.94
Rot. Bonds3

About (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine

(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine (PubChem CID 170891137) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine.

Molecular Properties

Compound Name(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine
PubChem CID170891137
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine
SMILESCC(N)C/C(=C(/Cl)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H13ClF3N/c1-8(17)7-10(11(13)12(14,15)16)9-5-3-2-4-6-9/h2-6,8H,7,17H2,1H3/b11-10-
InChIKeyWVRGLNNUSAUGNE-KHPPLWFESA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-chloro-4,4,4-trifluoro-N-(2-methylpropyl)-2-phenylbut-2-en-1-imine
CID 10902335
(E)-(1-amino-2,2,3,3,4,4,4-heptafluorobutylidene)-[(Z)-1-chloro-2-phenylbut-1-enyl]azanium chloride
CID 134921542
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
2-amino-1-phenylpropane-1-thione
CID 175332541
2-fluoro-5-methyl-3-phenylhex-2-enoic acid
CID 79730184
[(E)-1,4-diiodo-3,4-diphenylbut-3-enyl]-trimethylsilane
CID 23650015
1,1,1,5-tetrafluoro-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-en-2-amine
CID 171112305
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-amino-2,2-difluoro-4-oxo-4-phenylbutanoic acid
CID 68606166
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
3-(2-chlorophenyl)-3-fluorobutan-2-amine
CID 105454003
3-amino-N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide;hydrochloride
CID 119801858

Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine?
The IUPAC name of (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine (CID 170891137) is (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine.
What is the SMILES notation for (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine?
The canonical SMILES for (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine is CC(N)C/C(=C(/Cl)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine?
The InChIKey is WVRGLNNUSAUGNE-KHPPLWFESA-N. The full InChI is InChI=1S/C12H13ClF3N/c1-8(17)7-10(11(13)12(14,15)16)9-5-3-2-4-6-9/h2-6,8H,7,17H2,1H3/b11-10-.
What are the key properties of (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine?
(Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine has a molecular weight of 263.69 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-6,6,6-trifluoro-4-phenylhex-4-en-2-amine is sourced from PubChem (CID 170891137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).