2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate

C22H42FNO2 — CID 87314614

IUPAC2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate
SMILESCCCCCC/C=C/CCCCCC(CCCCC)NC(=O)OCCF
InChIInChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)/b11-10+
InChIKeyNQXGKWYCSGDKSY-ZHACJKMWSA-N
MW371.58 g/mol
LogP7.11
Rot. Bonds18

About 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate

2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate (PubChem CID 87314614) has the molecular formula C22H42FNO2 and a molecular weight of 371.58 g/mol. Its IUPAC name is 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate
PubChem CID87314614
Molecular FormulaC22H42FNO2
Molecular Weight371.58 g/mol
Exact Mass371.32
IUPAC Name2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate
SMILESCCCCCC/C=C/CCCCCC(CCCCC)NC(=O)OCCF
InChIInChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)/b11-10+
InChIKeyNQXGKWYCSGDKSY-ZHACJKMWSA-N
XLogP7.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.58
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 10570871
CID 10570871
CID 10736448
CID 10736448
CID 10833321
CID 10833321
CID 10570600
CID 10570600
CID 173054480
CID 173054480
CID 49823678
CID 49823678
CID 14952108
CID 14952108
CID 71626379
CID 71626379
CID 54576178
CID 54576178
CID 57409439
CID 57409439
CID 153938179
CID 153938179
CID 25112684
CID 25112684

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate (CID 87314614) is 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate is CCCCCC/C=C/CCCCCC(CCCCC)NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate?
The InChIKey is NQXGKWYCSGDKSY-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)/b11-10+.
What are the key properties of 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate?
2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate has a molecular weight of 371.58 g/mol, XLogP of 7.11, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(E)-nonadec-12-en-6-yl]carbamate is sourced from PubChem (CID 87314614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).