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

C10H17F2N — CID 105108486

IUPAC1-(4,4-difluorocyclohexyl)but-3-en-1-amine
SMILESC=CCC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-2-3-9(13)8-4-6-10(11,12)7-5-8/h2,8-9H,1,3-7,13H2
InChIKeyCLLYNFHBOVHRRJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.72
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)but-3-en-1-amine (PubChem CID 105108486) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)but-3-en-1-amine
PubChem CID105108486
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(4,4-difluorocyclohexyl)but-3-en-1-amine
SMILESC=CCC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-2-3-9(13)8-4-6-10(11,12)7-5-8/h2,8-9H,1,3-7,13H2
InChIKeyCLLYNFHBOVHRRJ-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
rac-(1R,3R)-3-ethenylcyclohexan-1-amine hydrochloride
CID 136589282
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
1-Cyclohexylpent-4-en-1-amine
CID 64298707
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
4-(Trifluoromethyl)hept-6-en-1-amine
CID 89153956
(2S)-3-(3-fluoropropyl)hex-5-en-2-amine
CID 89952050
4-Ethenyl-4-fluorocyclohexan-1-amine
CID 112562296
4-Fluoro-4-prop-2-enylcyclohexan-1-amine
CID 112562510
3-Fluoro-3-prop-2-enylcyclohexan-1-amine
CID 112567608
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
1-(3,3-Difluorocyclobutyl)but-3-en-1-amine
CID 130907354

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)but-3-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)but-3-en-1-amine (CID 105108486) is 1-(4,4-difluorocyclohexyl)but-3-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)but-3-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)but-3-en-1-amine is C=CCC(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)but-3-en-1-amine?
The InChIKey is CLLYNFHBOVHRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-3-9(13)8-4-6-10(11,12)7-5-8/h2,8-9H,1,3-7,13H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)but-3-en-1-amine?
1-(4,4-difluorocyclohexyl)but-3-en-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.72, 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)but-3-en-1-amine is sourced from PubChem (CID 105108486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).