N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide

C11H12F9NO — CID 4236017

IUPACN-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
SMILESO=C(NC1CCCCC1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c12-9(13,14)8(10(15,16)17,11(18,19)20)7(22)21-6-4-2-1-3-5-6/h6H,1-5H2,(H,21,22)
InChIKeyLTWISWOMQMYGLE-UHFFFAOYSA-N
MW345.21 g/mol
LogP4.11
Rot. Bonds2

About N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide

N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide (PubChem CID 4236017) has the molecular formula C11H12F9NO and a molecular weight of 345.21 g/mol. Its IUPAC name is N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
PubChem CID4236017
Molecular FormulaC11H12F9NO
Molecular Weight345.21 g/mol
Exact Mass345.08
IUPAC NameN-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
SMILESO=C(NC1CCCCC1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c12-9(13,14)8(10(15,16)17,11(18,19)20)7(22)21-6-4-2-1-3-5-6/h6H,1-5H2,(H,21,22)
InChIKeyLTWISWOMQMYGLE-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-2,2,2-trifluoroacetamide
CID 557702
N-Cyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 1602640
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3658277
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4363307
Acetamide, N-cyclohexyl-2-fluoro-
CID 120745
Cambridge id 5567136
CID 2250861
(1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide)
CID 3847323
N-cyclohexyl-3,3,3-trifluoropropanamide
CID 45806629
N-cyclohexyl-2,2-dimethylpropanamide
CID 528629
1-Aminohexane, PFP
CID 600779
Pentafluoropropanamide, N-(hept-2-yl)-
CID 91730518
N-cyclohexyl-2,2-difluoroacetamide
CID 103600496

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The IUPAC name of N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide (CID 4236017) is N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The canonical SMILES for N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide is O=C(NC1CCCCC1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
The InChIKey is LTWISWOMQMYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO/c12-9(13,14)8(10(15,16)17,11(18,19)20)7(22)21-6-4-2-1-3-5-6/h6H,1-5H2,(H,21,22).
What are the key properties of N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide?
N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide has a molecular weight of 345.21 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide is sourced from PubChem (CID 4236017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).