4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine

C11H19F2N — CID 134430014

IUPAC4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine
SMILESCC(CC1=CCCC(N)CC1)C(F)F
InChIInChI=1S/C11H19F2N/c1-8(11(12)13)7-9-3-2-4-10(14)6-5-9/h3,8,10-11H,2,4-7,14H2,1H3
InChIKeyGOQZFEZIZYDOPS-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.11
Rot. Bonds3

About 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine

4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine (PubChem CID 134430014) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine
PubChem CID134430014
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine
SMILESCC(CC1=CCCC(N)CC1)C(F)F
InChIInChI=1S/C11H19F2N/c1-8(11(12)13)7-9-3-2-4-10(14)6-5-9/h3,8,10-11H,2,4-7,14H2,1H3
InChIKeyGOQZFEZIZYDOPS-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.11
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

(E)-5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
CID 22825120
5,5-Difluoro-3-hexylpent-2-ene-1,4-diamine
CID 54552133
1-[(6R)-6-methyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]ethanamine
CID 71008416
(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
CID 88698954
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89074090
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
(1R)-1-[(2R,5R)-2-fluoro-4,5-dimethylcyclohex-3-en-1-yl]ethanamine
CID 89318382
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274
1-(Cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
CID 91802558

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine?
The IUPAC name of 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine (CID 134430014) is 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine.
What is the SMILES notation for 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine?
The canonical SMILES for 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine is CC(CC1=CCCC(N)CC1)C(F)F.
What is the InChIKey of 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine?
The InChIKey is GOQZFEZIZYDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(11(12)13)7-9-3-2-4-10(14)6-5-9/h3,8,10-11H,2,4-7,14H2,1H3.
What are the key properties of 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine?
4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-2-methylpropyl)cyclohept-4-en-1-amine is sourced from PubChem (CID 134430014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).