(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

C25H26F3NO — CID 142814228

IUPAC(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C25H26F3NO/c1-23(2,21-13-12-19-10-6-7-11-20(19)15-21)17-24(30,25(26,27)28)16-22(29)14-18-8-4-3-5-9-18/h3-15,30H,16-17,29H2,1-2H3/b22-14-
InChIKeyZVMNLSMWNYFNPS-HMAPJEAMSA-N
MW413.48 g/mol
LogP6.19
Rot. Bonds6

About (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol

(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (PubChem CID 142814228) has the molecular formula C25H26F3NO and a molecular weight of 413.48 g/mol. Its IUPAC name is (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.

Molecular Properties

Compound Name(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
PubChem CID142814228
Molecular FormulaC25H26F3NO
Molecular Weight413.48 g/mol
Exact Mass413.20
IUPAC Name(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
SMILESCC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C25H26F3NO/c1-23(2,21-13-12-19-10-6-7-11-20(19)15-21)17-24(30,25(26,27)28)16-22(29)14-18-8-4-3-5-9-18/h3-15,30H,16-17,29H2,1-2H3/b22-14-
InChIKeyZVMNLSMWNYFNPS-HMAPJEAMSA-N
XLogP6.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The IUPAC name of (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol (CID 142814228) is (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol.
What is the SMILES notation for (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The canonical SMILES for (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is CC(C)(CC(O)(C/C(N)=C/c1ccccc1)C(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
The InChIKey is ZVMNLSMWNYFNPS-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H26F3NO/c1-23(2,21-13-12-19-10-6-7-11-20(19)15-21)17-24(30,25(26,27)28)16-22(29)14-18-8-4-3-5-9-18/h3-15,30H,16-17,29H2,1-2H3/b22-14-.
What are the key properties of (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol?
(Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol has a molecular weight of 413.48 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-methyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol is sourced from PubChem (CID 142814228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).