2-(2-fluoroethylamino)cycloheptane-1-carbonitrile

C10H17FN2 — CID 130504029

IUPAC2-(2-fluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCF
InChIInChI=1S/C10H17FN2/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7H2
InChIKeyJWJXIGDUGRATJZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile

2-(2-fluoroethylamino)cycloheptane-1-carbonitrile (PubChem CID 130504029) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoroethylamino)cycloheptane-1-carbonitrile
PubChem CID130504029
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-(2-fluoroethylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCF
InChIInChI=1S/C10H17FN2/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7H2
InChIKeyJWJXIGDUGRATJZ-UHFFFAOYSA-N
XLogP2.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-3-amino-2,6,7-trifluorocycloheptane-1-carbonitrile
CID 166648044
5-Fluoro-6-(3-methylbutan-2-yl)piperidine-3-carbonitrile
CID 176610271
1-(2,2,2-Trifluoroethylamino)cycloheptane-1-carbonitrile
CID 60998657
2-(2,2,2-Trifluoroethylamino)cycloheptane-1-carbonitrile
CID 62742042
2-(3,3,3-Trifluoropropylamino)cycloheptane-1-carbonitrile
CID 63226432
1-(2,2,2-Trifluoroethylamino)cyclododecane-1-carbonitrile
CID 63465459
1-(Cycloheptylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64759251
4-Methyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65085413
4-Ethyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65088496
4-Propyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65089063
4-Propan-2-yl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65089109
4-Tert-butyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65094608

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile (CID 130504029) is 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCCF.
What is the InChIKey of 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile?
The InChIKey is JWJXIGDUGRATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c11-6-7-13-10-5-3-1-2-4-9(10)8-12/h9-10,13H,1-7H2.
What are the key properties of 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile?
2-(2-fluoroethylamino)cycloheptane-1-carbonitrile has a molecular weight of 184.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 130504029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).