(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine

C12H15F2N — CID 105411233

IUPAC(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-9(3-2-4-15)5-10-6-11(13)8-12(14)7-10/h3,6-8H,2,4-5,15H2,1H3/b9-3-
InChIKeyDSBYUJAOWCCAJQ-OQFOIZHKSA-N
MW211.25 g/mol
LogP2.80
Rot. Bonds4

About (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine

(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine (PubChem CID 105411233) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
PubChem CID105411233
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
SMILESC/C(=C/CCN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2N/c1-9(3-2-4-15)5-10-6-11(13)8-12(14)7-10/h3,6-8H,2,4-5,15H2,1H3/b9-3-
InChIKeyDSBYUJAOWCCAJQ-OQFOIZHKSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
CID 114350051
5-(4-bromophenyl)-4-methylpent-3-en-1-amine
CID 79592239
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
1-(3,5-difluorophenyl)-3,3-dimethylbutan-2-one
CID 59128716
3-(aminomethyl)-1-(3,5-difluorophenyl)-3-methylpentan-2-one
CID 105412081
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
1-(3,5-difluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446142
(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
CID 142242491
7-amino-1-(3,5-difluorophenyl)-5,5-dimethylheptan-2-one
CID 105411953

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine (CID 105411233) is (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine is C/C(=C/CCN)Cc1cc(F)cc(F)c1.
What is the InChIKey of (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine?
The InChIKey is DSBYUJAOWCCAJQ-OQFOIZHKSA-N. The full InChI is InChI=1S/C12H15F2N/c1-9(3-2-4-15)5-10-6-11(13)8-12(14)7-10/h3,6-8H,2,4-5,15H2,1H3/b9-3-.
What are the key properties of (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine?
(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 105411233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).