N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide

C14H20F3NO — CID 67747436

IUPACN,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C(C)C(F)(F)F)C=CC=CC1
InChIInChI=1S/C14H20F3NO/c1-4-18(5-2)12(19)13(9-7-6-8-10-13)11(3)14(15,16)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyKDVZQIINAIBCPD-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.56
Rot. Bonds4

About N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide

N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 67747436) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID67747436
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1(C(C)C(F)(F)F)C=CC=CC1
InChIInChI=1S/C14H20F3NO/c1-4-18(5-2)12(19)13(9-7-6-8-10-13)11(3)14(15,16)17/h6-9,11H,4-5,10H2,1-3H3
InChIKeyKDVZQIINAIBCPD-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 67747436) is N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is CCN(CC)C(=O)C1(C(C)C(F)(F)F)C=CC=CC1.
What is the InChIKey of N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is KDVZQIINAIBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-18(5-2)12(19)13(9-7-6-8-10-13)11(3)14(15,16)17/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 67747436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).