N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide

C10H14FNO — CID 143562982

IUPACN-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide
SMILESC/C=C\C(C=C(C)/C=C/F)NC=O
InChIInChI=1S/C10H14FNO/c1-3-4-10(12-8-13)7-9(2)5-6-11/h3-8,10H,1-2H3,(H,12,13)/b4-3-,6-5+,9-7?
InChIKeyUWLVNBQNZOOWQV-MESXMSJESA-N
MW183.23 g/mol
LogP2.11
Rot. Bonds5

About N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide

N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide (PubChem CID 143562982) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide
PubChem CID143562982
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide
SMILESC/C=C\C(C=C(C)/C=C/F)NC=O
InChIInChI=1S/C10H14FNO/c1-3-4-10(12-8-13)7-9(2)5-6-11/h3-8,10H,1-2H3,(H,12,13)/b4-3-,6-5+,9-7?
InChIKeyUWLVNBQNZOOWQV-MESXMSJESA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 57109470
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide
CID 89214742
N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dienyl]formamide
CID 89214983
N-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]formamide
CID 89215008
N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
CID 90860011
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide?
The IUPAC name of N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide (CID 143562982) is N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide.
What is the SMILES notation for N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide?
The canonical SMILES for N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide is C/C=C\C(C=C(C)/C=C/F)NC=O.
What is the InChIKey of N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide?
The InChIKey is UWLVNBQNZOOWQV-MESXMSJESA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-4-10(12-8-13)7-9(2)5-6-11/h3-8,10H,1-2H3,(H,12,13)/b4-3-,6-5+,9-7?.
What are the key properties of N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide?
N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide has a molecular weight of 183.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,7E)-8-fluoro-6-methylocta-2,5,7-trien-4-yl]formamide is sourced from PubChem (CID 143562982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).