1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde

C16H20FNO — CID 103502456

IUPAC1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCc3ccc(F)cc32)CCCCC1
InChIInChI=1S/C16H20FNO/c17-14-5-4-13-6-9-18(15(13)10-14)11-16(12-19)7-2-1-3-8-16/h4-5,10,12H,1-3,6-9,11H2
InChIKeyIGTMELXNXJESHX-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.34
Rot. Bonds3

About 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde

1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 103502456) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID103502456
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN2CCc3ccc(F)cc32)CCCCC1
InChIInChI=1S/C16H20FNO/c17-14-5-4-13-6-9-18(15(13)10-14)11-16(12-19)7-2-1-3-8-16/h4-5,10,12H,1-3,6-9,11H2
InChIKeyIGTMELXNXJESHX-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methanethiol
CID 103504369
6-fluoro-1-[(3-propylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 103497238
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
N-[[4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 103502519
7-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-quinoline
CID 120902138
(E)-4-(6-fluoro-2,3-dihydroindol-1-yl)but-2-en-1-amine
CID 103495908
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
4-amino-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenol
CID 103494091
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-4-methyloxolan-3-amine
CID 103497186

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 103502456) is 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde is O=CC1(CN2CCc3ccc(F)cc32)CCCCC1.
What is the InChIKey of 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is IGTMELXNXJESHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-5-4-13-6-9-18(15(13)10-14)11-16(12-19)7-2-1-3-8-16/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 261.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 103502456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).