N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine

C11H16FN — CID 142308849

IUPACN-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CC=C(N(C)CCF)CC=C1
InChIInChI=1S/C11H16FN/c1-10-4-3-5-11(7-6-10)13(2)9-8-12/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyQNDNVUMSXYMUGT-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.68
Rot. Bonds3

About N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine

N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine (PubChem CID 142308849) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine
PubChem CID142308849
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CC=C(N(C)CCF)CC=C1
InChIInChI=1S/C11H16FN/c1-10-4-3-5-11(7-6-10)13(2)9-8-12/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyQNDNVUMSXYMUGT-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
7-Fluoro-1,5,6-trimethyl-2,3-dihydroazepine
CID 123322899
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
4-fluoro-N-methyl-N-(3-methylidenepenta-1,4-dienyl)cyclohexa-1,3-dien-1-amine
CID 123679769
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
(3Z,5E)-5-ethynyl-N-(2-fluoroethyl)-N-methylhepta-1,3,5-trien-2-amine
CID 134375892
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine (CID 142308849) is N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine is CC1=CC=C(N(C)CCF)CC=C1.
What is the InChIKey of N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is QNDNVUMSXYMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-10-4-3-5-11(7-6-10)13(2)9-8-12/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine?
N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142308849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).