N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine

C10H11F2N — CID 145143878

IUPACN-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine
SMILESC=C(C1=C(/N=C/C)CC=C1)C(F)F
InChIInChI=1S/C10H11F2N/c1-3-13-9-6-4-5-8(9)7(2)10(11)12/h3-5,10H,2,6H2,1H3/b13-3+
InChIKeyYVWPEZZJLSOGSN-QLKAYGNNSA-N
MW183.20 g/mol
LogP3.11
Rot. Bonds3

About N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine

N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine (PubChem CID 145143878) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine.

Molecular Properties

Compound NameN-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine
PubChem CID145143878
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC NameN-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine
SMILESC=C(C1=C(/N=C/C)CC=C1)C(F)F
InChIInChI=1S/C10H11F2N/c1-3-13-9-6-4-5-8(9)7(2)10(11)12/h3-5,10H,2,6H2,1H3/b13-3+
InChIKeyYVWPEZZJLSOGSN-QLKAYGNNSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine?
The IUPAC name of N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine (CID 145143878) is N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine.
What is the SMILES notation for N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine?
The canonical SMILES for N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine is C=C(C1=C(/N=C/C)CC=C1)C(F)F.
What is the InChIKey of N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine?
The InChIKey is YVWPEZZJLSOGSN-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H11F2N/c1-3-13-9-6-4-5-8(9)7(2)10(11)12/h3-5,10H,2,6H2,1H3/b13-3+.
What are the key properties of N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine?
N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine has a molecular weight of 183.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroprop-1-en-2-yl)cyclopenta-1,3-dien-1-yl]ethanimine is sourced from PubChem (CID 145143878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).