(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate

C18H18FNO2 — CID 167195694

IUPAC(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate
SMILESCC#Cc1c(F)ccc2cc(OC(=O)NC)cc(C(C)C)c12
InChIInChI=1S/C18H18FNO2/c1-5-6-14-16(19)8-7-12-9-13(22-18(21)20-4)10-15(11(2)3)17(12)14/h7-11H,1-4H3,(H,20,21)
InChIKeyLGYKTSSSVXMEEH-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.19
Rot. Bonds2

About (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate

(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate (PubChem CID 167195694) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate
PubChem CID167195694
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate
SMILESCC#Cc1c(F)ccc2cc(OC(=O)NC)cc(C(C)C)c12
InChIInChI=1S/C18H18FNO2/c1-5-6-14-16(19)8-7-12-9-13(22-18(21)20-4)10-15(11(2)3)17(12)14/h7-11H,1-4H3,(H,20,21)
InChIKeyLGYKTSSSVXMEEH-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate?
The IUPAC name of (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate (CID 167195694) is (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate.
What is the SMILES notation for (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate?
The canonical SMILES for (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate is CC#Cc1c(F)ccc2cc(OC(=O)NC)cc(C(C)C)c12.
What is the InChIKey of (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate?
The InChIKey is LGYKTSSSVXMEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-5-6-14-16(19)8-7-12-9-13(22-18(21)20-4)10-15(11(2)3)17(12)14/h7-11H,1-4H3,(H,20,21).
What are the key properties of (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate?
(6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate has a molecular weight of 299.35 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-yl) N-methylcarbamate is sourced from PubChem (CID 167195694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).