N-(trifluoromethyl)pent-4-en-1-amine

C6H10F3N — CID 139822404

IUPACN-(trifluoromethyl)pent-4-en-1-amine
SMILESC=CCCCNC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-5-10-6(7,8)9/h2,10H,1,3-5H2
InChIKeyYPJWBWTUDFNSMD-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.06
Rot. Bonds4

About N-(trifluoromethyl)pent-4-en-1-amine

N-(trifluoromethyl)pent-4-en-1-amine (PubChem CID 139822404) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is N-(trifluoromethyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)pent-4-en-1-amine
PubChem CID139822404
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC NameN-(trifluoromethyl)pent-4-en-1-amine
SMILESC=CCCCNC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-5-10-6(7,8)9/h2,10H,1,3-5H2
InChIKeyYPJWBWTUDFNSMD-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.06
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methylpent-4-en-1-amine
CID 541660
(2,2-Difluoropent-4-en-1-yl)(methyl)aminehydrochloride
CID 167719820
N-(2,2,2-Trifluoroethyl)but-3-EN-1-amine
CID 53404757
2,2-Difluoropent-4-en-1-amine
CID 55296389
1,2,3-Trifluoropent-4-en-1-amine
CID 88196061
3,3-Difluoropent-4-en-1-amine
CID 123762786
1,2-difluoro-N-propylbut-3-en-1-amine
CID 135274995
2,2-difluoro-N-methylbut-3-en-1-amine
CID 138637034
1-fluoro-N-methylbut-3-en-1-amine
CID 139493874
N-(trifluoromethyl)but-3-en-1-amine
CID 175037920
3,3-difluoro-N-propan-2-ylpent-4-en-1-amine
CID 176977021
1,1,1-trifluoro-N-methylhex-5-en-2-amine
CID 55282290

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)pent-4-en-1-amine?
The IUPAC name of N-(trifluoromethyl)pent-4-en-1-amine (CID 139822404) is N-(trifluoromethyl)pent-4-en-1-amine.
What is the SMILES notation for N-(trifluoromethyl)pent-4-en-1-amine?
The canonical SMILES for N-(trifluoromethyl)pent-4-en-1-amine is C=CCCCNC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)pent-4-en-1-amine?
The InChIKey is YPJWBWTUDFNSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-3-4-5-10-6(7,8)9/h2,10H,1,3-5H2.
What are the key properties of N-(trifluoromethyl)pent-4-en-1-amine?
N-(trifluoromethyl)pent-4-en-1-amine has a molecular weight of 153.15 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)pent-4-en-1-amine is sourced from PubChem (CID 139822404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).