1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile

C7H7F4N — CID 130526768

IUPAC1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C7H7F4N/c8-5(9)7(10,11)3-6(4-12)1-2-6/h5H,1-3H2
InChIKeyDOHNDTWRRRCABQ-UHFFFAOYSA-N
MW181.13 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile

1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile (PubChem CID 130526768) has the molecular formula C7H7F4N and a molecular weight of 181.13 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile
PubChem CID130526768
Molecular FormulaC7H7F4N
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C7H7F4N/c8-5(9)7(10,11)3-6(4-12)1-2-6/h5H,1-3H2
InChIKeyDOHNDTWRRRCABQ-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-trifluoroethyl)cyclobutane-1-carbonitrile
CID 130513647
1-(trifluoromethylsulfonylmethyl)cyclopropane-1-carbonitrile
CID 130683227
1-(cyanomethyl)-4,4-difluorocyclohexane-1-carbonitrile
CID 118366557
3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
CID 127017269
1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
CID 118667710
2,2,3,3-tetrafluoropropan-1-ol;hydrate
CID 141297576
1-[2-(trifluoromethylsulfanyl)ethyl]cyclobutane-1-carbonitrile
CID 116627789
1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carbonitrile
CID 65379314
1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
CID 130514511
3-(2,2,3,3-tetrafluoropropoxy)pentanenitrile
CID 43368186
1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 126539994
3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile
CID 106292039

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile (CID 130526768) is 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile is N#CC1(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile?
The InChIKey is DOHNDTWRRRCABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N/c8-5(9)7(10,11)3-6(4-12)1-2-6/h5H,1-3H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile?
1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile has a molecular weight of 181.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 130526768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).