(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C14H16F2N2 — CID 129404110

IUPAC(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)[C@H]1CCc2[nH]c3c(F)c(F)ccc3c2C1
InChIInChI=1S/C14H16F2N2/c1-18(2)8-3-6-12-10(7-8)9-4-5-11(15)13(16)14(9)17-12/h4-5,8,17H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyUISNPIRBSCYTRC-QMMMGPOBSA-N
MW250.29 g/mol
LogP2.87
Rot. Bonds1

About (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 129404110) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID129404110
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)[C@H]1CCc2[nH]c3c(F)c(F)ccc3c2C1
InChIInChI=1S/C14H16F2N2/c1-18(2)8-3-6-12-10(7-8)9-4-5-11(15)13(16)14(9)17-12/h4-5,8,17H,3,6-7H2,1-2H3/t8-/m0/s1
InChIKeyUISNPIRBSCYTRC-QMMMGPOBSA-N
XLogP2.87
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 129404110) is (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(C)[C@H]1CCc2[nH]c3c(F)c(F)ccc3c2C1.
What is the InChIKey of (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is UISNPIRBSCYTRC-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-18(2)8-3-6-12-10(7-8)9-4-5-11(15)13(16)14(9)17-12/h4-5,8,17H,3,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 250.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 129404110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).