(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine

C9H13F2N — CID 142348700

IUPAC(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(N)/C(F)=C(/F)C(=C)C(C)C
InChIInChI=1S/C9H13F2N/c1-5(2)6(3)8(10)9(11)7(4)12/h5H,3-4,12H2,1-2H3/b9-8-
InChIKeyOHKWFVCJPRVYPL-HJWRWDBZSA-N
MW173.21 g/mol
LogP2.82
Rot. Bonds3

About (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine

(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine (PubChem CID 142348700) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
PubChem CID142348700
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
SMILESC=C(N)/C(F)=C(/F)C(=C)C(C)C
InChIInChI=1S/C9H13F2N/c1-5(2)6(3)8(10)9(11)7(4)12/h5H,3-4,12H2,1-2H3/b9-8-
InChIKeyOHKWFVCJPRVYPL-HJWRWDBZSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
(2-amino-4-methylpent-1-en-3-ylidene)-dimethylazanium
CID 166145401
2-methylpropane;prop-1-en-2-amine
CID 174893746
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
CID 126550733
2-fluoro-3-(3-fluorobut-3-en-2-yloxy)but-1-ene
CID 138505671
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
(3R)-but-1-ene-2,3-diamine
CID 142167658
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781

Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine (CID 142348700) is (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine is C=C(N)/C(F)=C(/F)C(=C)C(C)C.
What is the InChIKey of (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
The InChIKey is OHKWFVCJPRVYPL-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H13F2N/c1-5(2)6(3)8(10)9(11)7(4)12/h5H,3-4,12H2,1-2H3/b9-8-.
What are the key properties of (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine?
(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine has a molecular weight of 173.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine is sourced from PubChem (CID 142348700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).