N-(1,1,1-trifluoropent-2-en-2-yl)methanimine

C6H8F3N — CID 91449965

IUPACN-(1,1,1-trifluoropent-2-en-2-yl)methanimine
SMILESC=NC(=CCC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-5(10-2)6(7,8)9/h4H,2-3H2,1H3
InChIKeyFAMUSTRPVQKZMH-UHFFFAOYSA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds2

About N-(1,1,1-trifluoropent-2-en-2-yl)methanimine

N-(1,1,1-trifluoropent-2-en-2-yl)methanimine (PubChem CID 91449965) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-(1,1,1-trifluoropent-2-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropent-2-en-2-yl)methanimine
PubChem CID91449965
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-(1,1,1-trifluoropent-2-en-2-yl)methanimine
SMILESC=NC(=CCC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-5(10-2)6(7,8)9/h4H,2-3H2,1H3
InChIKeyFAMUSTRPVQKZMH-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine
CID 89399491
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
ethane;propane;N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimine
CID 143342931
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimine
CID 143342932
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195
ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514660
N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 144514661
N-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimine
CID 154964914
N-[(3Z,5E)-2,2-difluoro-6-methylocta-3,5-dien-3-yl]methanimine
CID 156395083
N-[(2Z,4Z)-1,1,1-trifluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 161670941
N-[(3Z)-5-fluorohexa-3,5-dien-3-yl]methanimine
CID 171630935
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine
CID 177000151

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropent-2-en-2-yl)methanimine?
The IUPAC name of N-(1,1,1-trifluoropent-2-en-2-yl)methanimine (CID 91449965) is N-(1,1,1-trifluoropent-2-en-2-yl)methanimine.
What is the SMILES notation for N-(1,1,1-trifluoropent-2-en-2-yl)methanimine?
The canonical SMILES for N-(1,1,1-trifluoropent-2-en-2-yl)methanimine is C=NC(=CCC)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropent-2-en-2-yl)methanimine?
The InChIKey is FAMUSTRPVQKZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-4-5(10-2)6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of N-(1,1,1-trifluoropent-2-en-2-yl)methanimine?
N-(1,1,1-trifluoropent-2-en-2-yl)methanimine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropent-2-en-2-yl)methanimine is sourced from PubChem (CID 91449965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).