2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile

C9H13F3N2 — CID 131086465

IUPAC2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile
SMILESN#CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h7-8,14H,1-4,6H2
InChIKeyDDNGVJOHOPXROZ-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.22
Rot. Bonds2

About 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile

2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile (PubChem CID 131086465) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile
PubChem CID131086465
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile
SMILESN#CCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h7-8,14H,1-4,6H2
InChIKeyDDNGVJOHOPXROZ-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 11506560
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
2-[[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]amino]acetonitrile
CID 97137207
N-methyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 20433147
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 24705824
N-(2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434609
N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43435858
N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747479
N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747491

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile?
The IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile (CID 131086465) is 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile?
The canonical SMILES for 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile is N#CCNC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile?
The InChIKey is DDNGVJOHOPXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)7-3-1-2-4-8(7)14-6-5-13/h7-8,14H,1-4,6H2.
What are the key properties of 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile?
2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)cyclohexyl]amino]acetonitrile is sourced from PubChem (CID 131086465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).