9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine

C13H18FNO — CID 143233240

IUPAC9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine
SMILESCCCNC1COC2=C(F)C=CCC=C2C1
InChIInChI=1S/C13H18FNO/c1-2-7-15-11-8-10-5-3-4-6-12(14)13(10)16-9-11/h4-6,11,15H,2-3,7-9H2,1H3
InChIKeyNYYGTCZQHRLEQP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.84
Rot. Bonds3

About 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine

9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine (PubChem CID 143233240) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine.

Molecular Properties

Compound Name9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine
PubChem CID143233240
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine
SMILESCCCNC1COC2=C(F)C=CCC=C2C1
InChIInChI=1S/C13H18FNO/c1-2-7-15-11-8-10-5-3-4-6-12(14)13(10)16-9-11/h4-6,11,15H,2-3,7-9H2,1H3
InChIKeyNYYGTCZQHRLEQP-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine?
The IUPAC name of 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine (CID 143233240) is 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine.
What is the SMILES notation for 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine?
The canonical SMILES for 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine is CCCNC1COC2=C(F)C=CCC=C2C1.
What is the InChIKey of 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine?
The InChIKey is NYYGTCZQHRLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-7-15-11-8-10-5-3-4-6-12(14)13(10)16-9-11/h4-6,11,15H,2-3,7-9H2,1H3.
What are the key properties of 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine?
9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine has a molecular weight of 223.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-N-propyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-3-amine is sourced from PubChem (CID 143233240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).