2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate

C11H16F3NO2 — CID 62734672

IUPAC2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
SMILESO=C(NCC1CC2CCC1C2)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)6-17-10(16)15-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16)
InChIKeyAZIYHWKVLWTBOV-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.71
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate

2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate (PubChem CID 62734672) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
PubChem CID62734672
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
SMILESO=C(NCC1CC2CCC1C2)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)6-17-10(16)15-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16)
InChIKeyAZIYHWKVLWTBOV-UHFFFAOYSA-N
XLogP2.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
CID 114106922
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
CID 80599268
2-(2-bicyclo[2.2.1]heptanyl)-N-(trifluoromethylsulfonyl)acetamide
CID 155621422
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
CID 114290714
2,2,2-trifluoroethyl N-[[5-[(2,2,2-trifluoroethoxycarbonylamino)methyl]cyclohex-2-en-1-yl]methyl]carbamate
CID 89388462
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate (CID 62734672) is 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate is O=C(NCC1CC2CCC1C2)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate?
The InChIKey is AZIYHWKVLWTBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)6-17-10(16)15-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate?
2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate has a molecular weight of 251.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate is sourced from PubChem (CID 62734672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).