N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine

C9H14F3N — CID 168972404

IUPACN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
SMILESC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h5H,4,6H2,1-3H3/b8-5-,13-7+
InChIKeyLFENGXWKVSBKRT-AXBOXZAGSA-N
MW193.21 g/mol
LogP3.71
Rot. Bonds3

About N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine (PubChem CID 168972404) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
PubChem CID168972404
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
SMILESC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h5H,4,6H2,1-3H3/b8-5-,13-7+
InChIKeyLFENGXWKVSBKRT-AXBOXZAGSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.71
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]propan-2-imine
CID 118183261
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
CID 123141114
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
CID 123183807
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-1-imine
CID 123355000
N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
CID 123861286
1,1,1-trifluoro-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]propan-2-imine
CID 132002881
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]nonan-2-imine
CID 134219914
N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
CID 153337806
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]butan-2-imine
CID 153569940
N-(3,3-difluorobut-1-en-2-yl)butan-2-imine
CID 169127834
3-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]butan-2-imine
CID 169645993
2,2-difluoro-N-[(E)-1-iodoprop-1-enyl]pentan-3-imine
CID 173978585

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The IUPAC name of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine (CID 168972404) is N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The canonical SMILES for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine is C/C=C(\N=C(/C)CCC)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The InChIKey is LFENGXWKVSBKRT-AXBOXZAGSA-N. The full InChI is InChI=1S/C9H14F3N/c1-4-6-7(3)13-8(5-2)9(10,11)12/h5H,4,6H2,1-3H3/b8-5-,13-7+.
What are the key properties of N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine is sourced from PubChem (CID 168972404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).