N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide

C10H10F3NO — CID 142217537

IUPACN-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
SMILESO=CNCC1C=CC=C(C(F)(F)F)C=C1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-3-1-2-8(4-5-9)6-14-7-15/h1-5,7-8H,6H2,(H,14,15)
InChIKeyDLZJQEGLQFTMFW-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.96
Rot. Bonds3

About N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide

N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide (PubChem CID 142217537) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
PubChem CID142217537
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
SMILESO=CNCC1C=CC=C(C(F)(F)F)C=C1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-3-1-2-8(4-5-9)6-14-7-15/h1-5,7-8H,6H2,(H,14,15)
InChIKeyDLZJQEGLQFTMFW-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.96
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-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dienyl]formamide
CID 89214983
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
N-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide
CID 142297290
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[[3,4-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]formamide
CID 142892422
N-[[3,6-bis(trifluoromethyl)cyclohepta-1,3,4,6-tetraen-1-yl]methyl]formamide
CID 142892441

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide?
The IUPAC name of N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide (CID 142217537) is N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide?
The canonical SMILES for N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide is O=CNCC1C=CC=C(C(F)(F)F)C=C1.
What is the InChIKey of N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide?
The InChIKey is DLZJQEGLQFTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-3-1-2-8(4-5-9)6-14-7-15/h1-5,7-8H,6H2,(H,14,15).
What are the key properties of N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide?
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide has a molecular weight of 217.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide is sourced from PubChem (CID 142217537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).