1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine

C9H11F2N — CID 143410965

IUPAC1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC(F)=CC(F)=CC1
InChIInChI=1S/C9H11F2N/c1-12-6-7-2-3-8(10)5-9(11)4-7/h3-5,12H,2,6H2,1H3
InChIKeySHQUWMSNSIBJGB-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.24
Rot. Bonds2

About 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine

1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine (PubChem CID 143410965) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
PubChem CID143410965
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC(F)=CC(F)=CC1
InChIInChI=1S/C9H11F2N/c1-12-6-7-2-3-8(10)5-9(11)4-7/h3-5,12H,2,6H2,1H3
InChIKeySHQUWMSNSIBJGB-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine (CID 143410965) is 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine is CNCC1=CC(F)=CC(F)=CC1.
What is the InChIKey of 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The InChIKey is SHQUWMSNSIBJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-12-6-7-2-3-8(10)5-9(11)4-7/h3-5,12H,2,6H2,1H3.
What are the key properties of 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine has a molecular weight of 171.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 143410965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).