(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile

C15H16F2N2 — CID 11079321

IUPAC(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile
SMILESN#CC1CCC/C1=C(/F)CNCc1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c16-13-6-4-11(5-7-13)9-19-10-15(17)14-3-1-2-12(14)8-18/h4-7,12,19H,1-3,9-10H2/b15-14-
InChIKeyNREDMAXQKPQGQT-PFONDFGASA-N
MW262.30 g/mol
LogP3.46
Rot. Bonds4

About (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile

(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile (PubChem CID 11079321) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile
PubChem CID11079321
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile
SMILESN#CC1CCC/C1=C(/F)CNCc1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c16-13-6-4-11(5-7-13)9-19-10-15(17)14-3-1-2-12(14)8-18/h4-7,12,19H,1-3,9-10H2/b15-14-
InChIKeyNREDMAXQKPQGQT-PFONDFGASA-N
XLogP3.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile?
The IUPAC name of (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile (CID 11079321) is (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile.
What is the SMILES notation for (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile?
The canonical SMILES for (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile is N#CC1CCC/C1=C(/F)CNCc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile?
The InChIKey is NREDMAXQKPQGQT-PFONDFGASA-N. The full InChI is InChI=1S/C15H16F2N2/c16-13-6-4-11(5-7-13)9-19-10-15(17)14-3-1-2-12(14)8-18/h4-7,12,19H,1-3,9-10H2/b15-14-.
What are the key properties of (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile?
(2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile has a molecular weight of 262.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-fluoro-2-[(4-fluorophenyl)methylamino]ethylidene]cyclopentane-1-carbonitrile is sourced from PubChem (CID 11079321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).