2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile

C11H17F3N2 — CID 63226432

IUPAC2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCC(F)(F)F
InChIInChI=1S/C11H17F3N2/c12-11(13,14)6-7-16-10-5-3-1-2-4-9(10)8-15/h9-10,16H,1-7H2
InChIKeyIJUWRMHYDSCPRM-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.00
Rot. Bonds3

About 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile

2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile (PubChem CID 63226432) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile
PubChem CID63226432
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCCC(F)(F)F
InChIInChI=1S/C11H17F3N2/c12-11(13,14)6-7-16-10-5-3-1-2-4-9(10)8-15/h9-10,16H,1-7H2
InChIKeyIJUWRMHYDSCPRM-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Dimethylcyclohexyl)-2-(3,3,3-trifluoropropylamino)acetonitrile
CID 121275176
2-[4-[(3,3-Difluorocyclobutyl)amino]cyclohexyl]acetonitrile
CID 132100883
2-[4-(3,3,3-Trifluoropropylamino)cyclohexyl]acetonitrile
CID 132101531
2-[4-[(4,4-Difluorocyclohexyl)amino]cyclohexyl]acetonitrile
CID 132101641
4-methyl-N-(trifluoromethyl)cycloheptan-1-amine
CID 134343193
1-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 141205662
N-[[4-(aminomethyl)cycloheptyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 141921167
Ethane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
CID 145395024
Propane;2-[4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
CID 145395221
2-[4-(2,2,2-Trifluoroethylamino)cyclohexyl]acetonitrile
CID 147560295
2-[1-(Aminomethyl)-4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
CID 156487295
4-methyl-3-[(3S)-3-(3,3,3-trifluoropropylamino)cyclohexyl]pentanenitrile
CID 156487362

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile (CID 63226432) is 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile?
The InChIKey is IJUWRMHYDSCPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)6-7-16-10-5-3-1-2-4-9(10)8-15/h9-10,16H,1-7H2.
What are the key properties of 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile?
2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)cycloheptane-1-carbonitrile is sourced from PubChem (CID 63226432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).