3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C14H17F2N — CID 166676107

IUPAC3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCNc1c2c(cc3c1C(C(F)F)CC3)CCC2
InChIInChI=1S/C14H17F2N/c1-17-13-10-4-2-3-8(10)7-9-5-6-11(12(9)13)14(15)16/h7,11,14,17H,2-6H2,1H3
InChIKeyYQRDCBITWCPCTB-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.51
Rot. Bonds2

About 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 166676107) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID166676107
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCNc1c2c(cc3c1C(C(F)F)CC3)CCC2
InChIInChI=1S/C14H17F2N/c1-17-13-10-4-2-3-8(10)7-9-5-6-11(12(9)13)14(15)16/h7,11,14,17H,2-6H2,1H3
InChIKeyYQRDCBITWCPCTB-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine;N-(1-methylpyrrolidin-3-yl)sulfanylformamide
CID 142513160
3-methoxy-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 165370015
(1S)-8-iodo-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
CID 155023346
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
CID 174088147
CID 174088147
(E)-but-2-en-2-ol;hydroxylamine;(3-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 153395976
4-(difluoromethoxy)-1,2,3,5,6,7-hexahydro-s-indacene
CID 171472859
sodium;formyl(3-oxa-8-azatricyclo[6.2.2.02,6]dodeca-2(6),4-dien-4-ylsulfinyl)azanide;N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 156857510
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
CID 137453163
CID 137453163
CID 175947001
CID 175947001
4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
CID 134258266

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 166676107) is 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is CNc1c2c(cc3c1C(C(F)F)CC3)CCC2.
What is the InChIKey of 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is YQRDCBITWCPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-17-13-10-4-2-3-8(10)7-9-5-6-11(12(9)13)14(15)16/h7,11,14,17H,2-6H2,1H3.
What are the key properties of 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 237.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 166676107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).