(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine

C11H17F2N — CID 177135534

IUPAC(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine
SMILESC=C(C)/C=C(\N(C)C(=C)C)C(C)(F)F
InChIInChI=1S/C11H17F2N/c1-8(2)7-10(11(5,12)13)14(6)9(3)4/h7H,1,3H2,2,4-6H3/b10-7-
InChIKeyYUHLLDLOFSKCPW-YFHOEESVSA-N
MW201.26 g/mol
LogP3.57
Rot. Bonds4

About (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine

(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine (PubChem CID 177135534) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine
PubChem CID177135534
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine
SMILESC=C(C)/C=C(\N(C)C(=C)C)C(C)(F)F
InChIInChI=1S/C11H17F2N/c1-8(2)7-10(11(5,12)13)14(6)9(3)4/h7H,1,3H2,2,4-6H3/b10-7-
InChIKeyYUHLLDLOFSKCPW-YFHOEESVSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
CID 123486641
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine (CID 177135534) is (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine is C=C(C)/C=C(\N(C)C(=C)C)C(C)(F)F.
What is the InChIKey of (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine?
The InChIKey is YUHLLDLOFSKCPW-YFHOEESVSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)7-10(11(5,12)13)14(6)9(3)4/h7H,1,3H2,2,4-6H3/b10-7-.
What are the key properties of (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine?
(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine has a molecular weight of 201.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine is sourced from PubChem (CID 177135534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).