1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine

C10H17F2N — CID 105163754

IUPAC1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9H,1,3-6,13H2,2H3
InChIKeyVLHNNMPQARCJPT-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.72
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine

1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine (PubChem CID 105163754) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine
PubChem CID105163754
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9H,1,3-6,13H2,2H3
InChIKeyVLHNNMPQARCJPT-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.72
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

1,1-Difluoro-3-methylideneoctane-2,6-diamine
CID 88692921
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
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
2,5-Dimethyl-5-(trifluoromethyl)hept-1-en-3-amine
CID 167281608
(5S)-5-(difluoromethyl)-2,5-dimethyloct-1-en-3-amine
CID 167281696
2,2,2-Trifluoro-1-(4-methylidenecycloheptyl)ethanamine
CID 172623807

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine (CID 105163754) is 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine?
The InChIKey is VLHNNMPQARCJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9H,1,3-6,13H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine?
1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105163754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).