(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine

C16H23F2N — CID 134527324

IUPAC(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine
SMILESCC/C=C(/C)CC(N)Cc1ccc(C(C)F)cc1F
InChIInChI=1S/C16H23F2N/c1-4-5-11(2)8-15(19)9-14-7-6-13(12(3)17)10-16(14)18/h5-7,10,12,15H,4,8-9,19H2,1-3H3/b11-5-
InChIKeyGOENYALFVCSXLC-WZUFQYTHSA-N
MW267.36 g/mol
LogP4.47
Rot. Bonds6

About (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine

(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine (PubChem CID 134527324) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine
PubChem CID134527324
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine
SMILESCC/C=C(/C)CC(N)Cc1ccc(C(C)F)cc1F
InChIInChI=1S/C16H23F2N/c1-4-5-11(2)8-15(19)9-14-7-6-13(12(3)17)10-16(14)18/h5-7,10,12,15H,4,8-9,19H2,1-3H3/b11-5-
InChIKeyGOENYALFVCSXLC-WZUFQYTHSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine?
The IUPAC name of (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine (CID 134527324) is (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine.
What is the SMILES notation for (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine?
The canonical SMILES for (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine is CC/C=C(/C)CC(N)Cc1ccc(C(C)F)cc1F.
What is the InChIKey of (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine?
The InChIKey is GOENYALFVCSXLC-WZUFQYTHSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-5-11(2)8-15(19)9-14-7-6-13(12(3)17)10-16(14)18/h5-7,10,12,15H,4,8-9,19H2,1-3H3/b11-5-.
What are the key properties of (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine?
(Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-fluoro-4-(1-fluoroethyl)phenyl]-4-methylhept-4-en-2-amine is sourced from PubChem (CID 134527324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).