N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide

C9H14F3NO — CID 142545118

IUPACN-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8-3-1-7(2-4-8)5-13-6-14/h6-8H,1-5H2,(H,13,14)
InChIKeyKUCQAIRKNJCWSH-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.10
Rot. Bonds3

About N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide

N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide (PubChem CID 142545118) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide
PubChem CID142545118
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide
SMILESO=CNCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8-3-1-7(2-4-8)5-13-6-14/h6-8H,1-5H2,(H,13,14)
InChIKeyKUCQAIRKNJCWSH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexylmethyl-formamide
CID 20333386
Acetamide, N-(cyclohexylmethyl)-2,2,2-trifluoro-
CID 10488619
Ditolylmethane
CID 14029471
N-[3-(trifluoromethyl)cyclohexyl]formamide
CID 59453364
N-[4-(trifluoromethyl)cyclohexyl]formamide
CID 64992343
N-(1-cyclohexyl-2,2,2-trifluoroethyl)formamide
CID 142386665
[4-(Trifluoromethyl)cyclohexyl]methylurea
CID 153804461
N-(5-methylhexyl)formamide;1,1,1-trifluoroethane
CID 176554998
N-[2-(trifluoromethyl)cyclohexyl]formamide
CID 64992344
N-(cyclohexylmethyl)-2,2-difluoroacetamide
CID 103600604
[(2,2-Difluorocyclohexyl)methyl]urea
CID 127010702
[(4,4-Difluorocyclohexyl)methyl]urea
CID 130842600

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide?
The IUPAC name of N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide (CID 142545118) is N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide?
The canonical SMILES for N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide is O=CNCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide?
The InChIKey is KUCQAIRKNJCWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)8-3-1-7(2-4-8)5-13-6-14/h6-8H,1-5H2,(H,13,14).
What are the key properties of N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide?
N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide has a molecular weight of 209.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 142545118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).