N-but-3-enyl-4,4-difluorocyclohexan-1-amine

C10H17F2N — CID 169136884

IUPACN-but-3-enyl-4,4-difluorocyclohexan-1-amine
SMILESC=CCCNC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-2-3-8-13-9-4-6-10(11,12)7-5-9/h2,9,13H,1,3-8H2
InChIKeySERSTRQOLFDITK-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.73
Rot. Bonds4

About N-but-3-enyl-4,4-difluorocyclohexan-1-amine

N-but-3-enyl-4,4-difluorocyclohexan-1-amine (PubChem CID 169136884) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-but-3-enyl-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-4,4-difluorocyclohexan-1-amine
PubChem CID169136884
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-but-3-enyl-4,4-difluorocyclohexan-1-amine
SMILESC=CCCNC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-2-3-8-13-9-4-6-10(11,12)7-5-9/h2,9,13H,1,3-8H2
InChIKeySERSTRQOLFDITK-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-but-3-enyl-4,4-difluorocyclohexan-1-amine (CID 169136884) is N-but-3-enyl-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-but-3-enyl-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-but-3-enyl-4,4-difluorocyclohexan-1-amine is C=CCCNC1CCC(F)(F)CC1.
What is the InChIKey of N-but-3-enyl-4,4-difluorocyclohexan-1-amine?
The InChIKey is SERSTRQOLFDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-3-8-13-9-4-6-10(11,12)7-5-9/h2,9,13H,1,3-8H2.
What are the key properties of N-but-3-enyl-4,4-difluorocyclohexan-1-amine?
N-but-3-enyl-4,4-difluorocyclohexan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 169136884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).