N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine

C10H16F3N — CID 63226203

IUPACN-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CC=CCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2
InChIKeyBGMUKNHCMJKVBP-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.88
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 63226203) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID63226203
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CC=CCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2
InChIKeyBGMUKNHCMJKVBP-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.88
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-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine (CID 63226203) is N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BGMUKNHCMJKVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-2,9,14H,3-8H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).