(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate

C16H13ClO2 — CID 19978427

IUPAC(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
SMILESCc1cccc2c1C(COC(=O)Cl)c1ccccc1-2
InChIInChI=1S/C16H13ClO2/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(15(10)13)9-19-16(17)18/h2-8,14H,9H2,1H3
InChIKeySJTWIOAYIHRXFQ-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.48
Rot. Bonds2

About (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate

(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate (PubChem CID 19978427) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate.

Molecular Properties

Compound Name(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
PubChem CID19978427
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate
SMILESCc1cccc2c1C(COC(=O)Cl)c1ccccc1-2
InChIInChI=1S/C16H13ClO2/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(15(10)13)9-19-16(17)18/h2-8,14H,9H2,1H3
InChIKeySJTWIOAYIHRXFQ-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9-ethyl-1-methyl-9H-fluorene
CID 15584367
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
(2-bromo-1H-inden-1-yl)methyl carbonochloridate
CID 23326037
9H-fluoren-9-ylmethoxy carbonochloridate
CID 22145274
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 3-methyldithiirane-3-carboxylate
CID 58932762
N-(1-methyl-9H-fluoren-9-yl)propanamide
CID 59907821
1,9-dimethyl-9H-fluorene
CID 28227

Frequently Asked Questions

What is the IUPAC name of (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate?
The IUPAC name of (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate (CID 19978427) is (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate.
What is the SMILES notation for (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate?
The canonical SMILES for (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate is Cc1cccc2c1C(COC(=O)Cl)c1ccccc1-2.
What is the InChIKey of (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate?
The InChIKey is SJTWIOAYIHRXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-10-5-4-8-13-11-6-2-3-7-12(11)14(15(10)13)9-19-16(17)18/h2-8,14H,9H2,1H3.
What are the key properties of (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate?
(1-methyl-9H-fluoren-9-yl)methyl carbonochloridate has a molecular weight of 272.73 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9H-fluoren-9-yl)methyl carbonochloridate is sourced from PubChem (CID 19978427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).