1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine

C11H19F2N — CID 105163123

IUPAC1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10H,1,3-7,14H2,2H3
InChIKeyWVDUMKBXCKFISV-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.11
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine

1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine (PubChem CID 105163123) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine
PubChem CID105163123
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10H,1,3-7,14H2,2H3
InChIKeyWVDUMKBXCKFISV-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

2-(4-Methylidenecyclohexyl)ethanamine
CID 89029468
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
4-Methyl-2-(3,3,3-trifluoropropyl)pent-4-en-1-amine
CID 124095435
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
8-(3,3-Difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
CID 129066497
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
But-2-ene;1-cyclohexyl-2,2,2-trifluoroethanamine
CID 142537452

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine (CID 105163123) is 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine?
The InChIKey is WVDUMKBXCKFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10H,1,3-7,14H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine?
1-(4,4-difluorocyclohexyl)-3-methylbut-3-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 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 105163123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).