9H-fluoren-1-ylmethyl 2-chlorohexanoate

C20H21ClO2 — CID 175075714

IUPAC9H-fluoren-1-ylmethyl 2-chlorohexanoate
SMILESCCCCC(Cl)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21ClO2/c1-2-3-11-19(21)20(22)23-13-15-8-6-10-17-16-9-5-4-7-14(16)12-18(15)17/h4-10,19H,2-3,11-13H2,1H3
InChIKeyPGYKFFYCSOOGBO-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.10
Rot. Bonds6

About 9H-fluoren-1-ylmethyl 2-chlorohexanoate

9H-fluoren-1-ylmethyl 2-chlorohexanoate (PubChem CID 175075714) has the molecular formula C20H21ClO2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl 2-chlorohexanoate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl 2-chlorohexanoate
PubChem CID175075714
Molecular FormulaC20H21ClO2
Molecular Weight328.84 g/mol
Exact Mass328.12
IUPAC Name9H-fluoren-1-ylmethyl 2-chlorohexanoate
SMILESCCCCC(Cl)C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21ClO2/c1-2-3-11-19(21)20(22)23-13-15-8-6-10-17-16-9-5-4-7-14(16)12-18(15)17/h4-10,19H,2-3,11-13H2,1H3
InChIKeyPGYKFFYCSOOGBO-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
2,2-diamino-3-(9H-fluoren-1-ylmethoxycarbonyl)heptanedioic acid
CID 174973010
2,6-diaminohexanoic acid;9H-fluoren-1-ylmethyl carbonochloridate
CID 175563676
4-O-tert-butyl 1-O-(9H-fluoren-1-ylmethyl) (2S)-2-formylbutanedioate
CID 87967107
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
2-(9H-fluoren-1-yl)acetamide
CID 22939017
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl 2-chlorohexanoate?
The IUPAC name of 9H-fluoren-1-ylmethyl 2-chlorohexanoate (CID 175075714) is 9H-fluoren-1-ylmethyl 2-chlorohexanoate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl 2-chlorohexanoate?
The canonical SMILES for 9H-fluoren-1-ylmethyl 2-chlorohexanoate is CCCCC(Cl)C(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl 2-chlorohexanoate?
The InChIKey is PGYKFFYCSOOGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO2/c1-2-3-11-19(21)20(22)23-13-15-8-6-10-17-16-9-5-4-7-14(16)12-18(15)17/h4-10,19H,2-3,11-13H2,1H3.
What are the key properties of 9H-fluoren-1-ylmethyl 2-chlorohexanoate?
9H-fluoren-1-ylmethyl 2-chlorohexanoate has a molecular weight of 328.84 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl 2-chlorohexanoate is sourced from PubChem (CID 175075714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).