(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile

C6H3F3N2 — CID 101231803

IUPAC(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C[C@@H]1C(F)(F)F
InChIInChI=1S/C6H3F3N2/c7-6(8,9)4-1-5(4,2-10)3-11/h4H,1H2/t4-/m0/s1
InChIKeyDCUDHDPAPMEBQR-BYPYZUCNSA-N
MW160.10 g/mol
LogP1.60
Rot. Bonds

About (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile

(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile (PubChem CID 101231803) has the molecular formula C6H3F3N2 and a molecular weight of 160.10 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile
PubChem CID101231803
Molecular FormulaC6H3F3N2
Molecular Weight160.10 g/mol
Exact Mass160.02
IUPAC Name(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C[C@@H]1C(F)(F)F
InChIInChI=1S/C6H3F3N2/c7-6(8,9)4-1-5(4,2-10)3-11/h4H,1H2/t4-/m0/s1
InChIKeyDCUDHDPAPMEBQR-BYPYZUCNSA-N
XLogP1.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile?
The IUPAC name of (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile (CID 101231803) is (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile.
What is the SMILES notation for (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile?
The canonical SMILES for (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile is N#CC1(C#N)C[C@@H]1C(F)(F)F.
What is the InChIKey of (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile?
The InChIKey is DCUDHDPAPMEBQR-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H3F3N2/c7-6(8,9)4-1-5(4,2-10)3-11/h4H,1H2/t4-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile?
(2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile has a molecular weight of 160.10 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)cyclopropane-1,1-dicarbonitrile is sourced from PubChem (CID 101231803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).